2-amino-4-(1,2,4-triazol-1-yl)pentanoic acid

C7H12N4O2 — CID 123800629

IUPAC2-amino-4-(1,2,4-triazol-1-yl)pentanoic acid
SMILESCC(CC(N)C(=O)O)n1cncn1
InChIInChI=1S/C7H12N4O2/c1-5(2-6(8)7(12)13)11-4-9-3-10-11/h3-6H,2,8H2,1H3,(H,12,13)
InChIKeySHERIWNABSBISJ-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.36
Rot. Bonds4

About 2-amino-4-(1,2,4-triazol-1-yl)pentanoic acid

2-amino-4-(1,2,4-triazol-1-yl)pentanoic acid (PubChem CID 123800629) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-amino-4-(1,2,4-triazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-4-(1,2,4-triazol-1-yl)pentanoic acid
PubChem CID123800629
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-amino-4-(1,2,4-triazol-1-yl)pentanoic acid
SMILESCC(CC(N)C(=O)O)n1cncn1
InChIInChI=1S/C7H12N4O2/c1-5(2-6(8)7(12)13)11-4-9-3-10-11/h3-6H,2,8H2,1H3,(H,12,13)
InChIKeySHERIWNABSBISJ-UHFFFAOYSA-N
XLogP-0.36
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2,4-triazol-1-yl)propanoic acid
CID 16785201
(3R)-3-(1,2,4-triazol-1-yl)butanehydrazide
CID 35399839
4-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid
CID 43210967
methyl 2-methyl-2-(propan-2-ylamino)-4-(1,2,4-triazol-1-yl)pentanoate
CID 64705076
(3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide
CID 39730515
(2R)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 78972744
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-5-cyclopropyl-4-methylhexanoic acid
CID 174468132
N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729141
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 104873120
methyl (2S)-4-methyl-2-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]oxypentanoate
CID 97324753

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,2,4-triazol-1-yl)pentanoic acid?
The IUPAC name of 2-amino-4-(1,2,4-triazol-1-yl)pentanoic acid (CID 123800629) is 2-amino-4-(1,2,4-triazol-1-yl)pentanoic acid.
What is the SMILES notation for 2-amino-4-(1,2,4-triazol-1-yl)pentanoic acid?
The canonical SMILES for 2-amino-4-(1,2,4-triazol-1-yl)pentanoic acid is CC(CC(N)C(=O)O)n1cncn1.
What is the InChIKey of 2-amino-4-(1,2,4-triazol-1-yl)pentanoic acid?
The InChIKey is SHERIWNABSBISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5(2-6(8)7(12)13)11-4-9-3-10-11/h3-6H,2,8H2,1H3,(H,12,13).
What are the key properties of 2-amino-4-(1,2,4-triazol-1-yl)pentanoic acid?
2-amino-4-(1,2,4-triazol-1-yl)pentanoic acid has a molecular weight of 184.20 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,2,4-triazol-1-yl)pentanoic acid is sourced from PubChem (CID 123800629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).