2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid

C15H29N5O3 — CID 54125507

IUPAC2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid
SMILESNC(N)=NCCC[C@H](N)C(=O)N(CC(=O)O)CC1CCCCC1
InChIInChI=1S/C15H29N5O3/c16-12(7-4-8-19-15(17)18)14(23)20(10-13(21)22)9-11-5-2-1-3-6-11/h11-12H,1-10,16H2,(H,21,22)(H4,17,18,19)/t12-/m0/s1
InChIKeyNQRLGFNJDLBAAE-LBPRGKRZSA-N
MW327.43 g/mol
LogP-0.14
Rot. Bonds9

About 2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid

2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid (PubChem CID 54125507) has the molecular formula C15H29N5O3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid
PubChem CID54125507
Molecular FormulaC15H29N5O3
Molecular Weight327.43 g/mol
Exact Mass327.23
IUPAC Name2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid
SMILESNC(N)=NCCC[C@H](N)C(=O)N(CC(=O)O)CC1CCCCC1
InChIInChI=1S/C15H29N5O3/c16-12(7-4-8-19-15(17)18)14(23)20(10-13(21)22)9-11-5-2-1-3-6-11/h11-12H,1-10,16H2,(H,21,22)(H4,17,18,19)/t12-/m0/s1
InChIKeyNQRLGFNJDLBAAE-LBPRGKRZSA-N
XLogP-0.14
TPSA148.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
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

2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869519
2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 79022935
2-amino-N-(cyclohexylmethyl)-N-propylpentanamide;hydrochloride
CID 119302235
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide
CID 148549372
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
(2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide
CID 113304824
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 162085050
2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22328371

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid (CID 54125507) is 2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid is NC(N)=NCCC[C@H](N)C(=O)N(CC(=O)O)CC1CCCCC1.
What is the InChIKey of 2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid?
The InChIKey is NQRLGFNJDLBAAE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H29N5O3/c16-12(7-4-8-19-15(17)18)14(23)20(10-13(21)22)9-11-5-2-1-3-6-11/h11-12H,1-10,16H2,(H,21,22)(H4,17,18,19)/t12-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid?
2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid has a molecular weight of 327.43 g/mol, XLogP of -0.14, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid is sourced from PubChem (CID 54125507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).