2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid

C10H16N2O3 — CID 107570339

IUPAC2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid
SMILESC#CCC(NC(=O)[C@H](N)CCC)C(=O)O
InChIInChI=1S/C10H16N2O3/c1-3-5-7(11)9(13)12-8(6-4-2)10(14)15/h2,7-8H,3,5-6,11H2,1H3,(H,12,13)(H,14,15)/t7-,8?/m1/s1
InChIKeyFZLZXHWOFUVUJH-GVHYBUMESA-N
MW212.25 g/mol
LogP-0.29
Rot. Bonds6

About 2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid

2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid (PubChem CID 107570339) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid.

Molecular Properties

Compound Name2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid
PubChem CID107570339
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid
SMILESC#CCC(NC(=O)[C@H](N)CCC)C(=O)O
InChIInChI=1S/C10H16N2O3/c1-3-5-7(11)9(13)12-8(6-4-2)10(14)15/h2,7-8H,3,5-6,11H2,1H3,(H,12,13)(H,14,15)/t7-,8?/m1/s1
InChIKeyFZLZXHWOFUVUJH-GVHYBUMESA-N
XLogP-0.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(2R)-2-amino-3-carboxypropanoyl]amino]pent-4-ynoic acid
CID 129381095
2-[(2-amino-3-carboxypropanoyl)amino]pent-4-ynoic acid;hydrochloride
CID 139211089
2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103869500
2-(2-aminopentanoylamino)-4-methylpentanoic acid
CID 5095064
4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid
CID 103868880
(2S)-5-amino-2-[[(2R)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 103870468
(2R)-5-amino-2-[[(2S)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 107830315
(2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid
CID 107570769
(2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid
CID 107570768
(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid
CID 103869979
(2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid
CID 107830312
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 107570404

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid?
The IUPAC name of 2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid (CID 107570339) is 2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid.
What is the SMILES notation for 2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid?
The canonical SMILES for 2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid is C#CCC(NC(=O)[C@H](N)CCC)C(=O)O.
What is the InChIKey of 2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid?
The InChIKey is FZLZXHWOFUVUJH-GVHYBUMESA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-5-7(11)9(13)12-8(6-4-2)10(14)15/h2,7-8H,3,5-6,11H2,1H3,(H,12,13)(H,14,15)/t7-,8?/m1/s1.
What are the key properties of 2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid?
2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid has a molecular weight of 212.25 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid is sourced from PubChem (CID 107570339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).