(2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide

C10H21N3O2 — CID 57179994

IUPAC(2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide
SMILESCC(C)[C@H](C=O)NC(=O)[C@H](N)CCCN
InChIInChI=1S/C10H21N3O2/c1-7(2)9(6-14)13-10(15)8(12)4-3-5-11/h6-9H,3-5,11-12H2,1-2H3,(H,13,15)/t8-,9+/m1/s1
InChIKeyBSZZRTZPLMZNSL-BDAKNGLRSA-N
MW215.30 g/mol
LogP-0.61
Rot. Bonds7

About (2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide

(2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide (PubChem CID 57179994) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is (2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide
PubChem CID57179994
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name(2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide
SMILESCC(C)[C@H](C=O)NC(=O)[C@H](N)CCCN
InChIInChI=1S/C10H21N3O2/c1-7(2)9(6-14)13-10(15)8(12)4-3-5-11/h6-9H,3-5,11-12H2,1-2H3,(H,13,15)/t8-,9+/m1/s1
InChIKeyBSZZRTZPLMZNSL-BDAKNGLRSA-N
XLogP-0.61
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide
CID 123833893
(2S)-2,6-diamino-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide
CID 54330338
(2S)-2,6-diamino-N-[(3S)-2-methyl-4-oxopentan-3-yl]hexanamide
CID 87068756
(2S)-2-[[(2R)-2,6-diaminohexanoyl]amino]-3-methylbutanoic acid
CID 54521285
(2R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoic acid
CID 86308211
(2S)-2-(2,6-diaminohexanoylamino)propanoic acid
CID 130447045
(2S)-2-[[(2R)-2,6-diaminohexanoyl]amino]propanoic acid
CID 54238921
(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoic acid;dihydrochloride
CID 140776126
2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide
CID 143981855
(2S)-2-amino-N-[(2S,3R)-3-hydroxy-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-4-methylpentanamide
CID 173062226
(2R)-2,6-diamino-N-[(2S)-3-methyl-1-oxobutan-2-yl]-2-(2-methylpropanoyl)hexanamide
CID 174850502
(4S)-4-[[(2S)-2-aminohexanoyl]amino]-5-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
CID 123632916

Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide?
The IUPAC name of (2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide (CID 57179994) is (2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide.
What is the SMILES notation for (2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide?
The canonical SMILES for (2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide is CC(C)[C@H](C=O)NC(=O)[C@H](N)CCCN.
What is the InChIKey of (2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide?
The InChIKey is BSZZRTZPLMZNSL-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(2)9(6-14)13-10(15)8(12)4-3-5-11/h6-9H,3-5,11-12H2,1-2H3,(H,13,15)/t8-,9+/m1/s1.
What are the key properties of (2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide?
(2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide has a molecular weight of 215.30 g/mol, XLogP of -0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide is sourced from PubChem (CID 57179994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).