(2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide

C13H28N6O2 — CID 174197575

IUPAC(2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide
SMILESCN[C@H](CCCN=C(N)N)C(=O)N[C@H](CC(C)C)C(N)=O
InChIInChI=1S/C13H28N6O2/c1-8(2)7-10(11(14)20)19-12(21)9(17-3)5-4-6-18-13(15)16/h8-10,17H,4-7H2,1-3H3,(H2,14,20)(H,19,21)(H4,15,16,18)/t9-,10-/m1/s1
InChIKeyXJJGLGNMSKDXOT-NXEZZACHSA-N
MW300.41 g/mol
LogP-1.36
Rot. Bonds10

About (2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide

(2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide (PubChem CID 174197575) has the molecular formula C13H28N6O2 and a molecular weight of 300.41 g/mol. Its IUPAC name is (2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide
PubChem CID174197575
Molecular FormulaC13H28N6O2
Molecular Weight300.41 g/mol
Exact Mass300.23
IUPAC Name(2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide
SMILESCN[C@H](CCCN=C(N)N)C(=O)N[C@H](CC(C)C)C(N)=O
InChIInChI=1S/C13H28N6O2/c1-8(2)7-10(11(14)20)19-12(21)9(17-3)5-4-6-18-13(15)16/h8-10,17H,4-7H2,1-3H3,(H2,14,20)(H,19,21)(H4,15,16,18)/t9-,10-/m1/s1
InChIKeyXJJGLGNMSKDXOT-NXEZZACHSA-N
XLogP-1.36
TPSA148.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 5-1.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(2-sulfanylacetyl)amino]pentanoyl]amino]-4-methylpentanamide
CID 46882494
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-4-methylpentanamide
CID 11378370
5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid
CID 71447016
5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-2-methylpentanamide
CID 121419509
4-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 102510844
methyl 2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-3-hydroxypropanoate
CID 126723432
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 46883591
2-[(4R)-4-(methylamino)-5-oxohexyl]guanidine
CID 59966003
(2S)-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 10415062
(2S)-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 175797991
ethane;2-[4-(methylamino)-5-oxohexyl]guanidine
CID 145328889

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide (CID 174197575) is (2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide is CN[C@H](CCCN=C(N)N)C(=O)N[C@H](CC(C)C)C(N)=O.
What is the InChIKey of (2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide?
The InChIKey is XJJGLGNMSKDXOT-NXEZZACHSA-N. The full InChI is InChI=1S/C13H28N6O2/c1-8(2)7-10(11(14)20)19-12(21)9(17-3)5-4-6-18-13(15)16/h8-10,17H,4-7H2,1-3H3,(H2,14,20)(H,19,21)(H4,15,16,18)/t9-,10-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide?
(2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide has a molecular weight of 300.41 g/mol, XLogP of -1.36, 10 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide is sourced from PubChem (CID 174197575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).