2-aminopent-4-ynoic acid;hydrochloride

C5H8ClNO2 — CID 53229946

IUPAC2-aminopent-4-ynoic acid;hydrochloride
SMILESC#CCC(N)C(=O)O.Cl
InChIInChI=1S/C5H7NO2.ClH/c1-2-3-4(6)5(7)8;/h1,4H,3,6H2,(H,7,8);1H
InChIKeyUAMBUICGODABQY-UHFFFAOYSA-N
MW149.58 g/mol
LogP-0.16
Rot. Bonds2

About 2-aminopent-4-ynoic acid;hydrochloride

2-aminopent-4-ynoic acid;hydrochloride (PubChem CID 53229946) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is 2-aminopent-4-ynoic acid;hydrochloride.

Molecular Properties

Compound Name2-aminopent-4-ynoic acid;hydrochloride
PubChem CID53229946
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC Name2-aminopent-4-ynoic acid;hydrochloride
SMILESC#CCC(N)C(=O)O.Cl
InChIInChI=1S/C5H7NO2.ClH/c1-2-3-4(6)5(7)8;/h1,4H,3,6H2,(H,7,8);1H
InChIKeyUAMBUICGODABQY-UHFFFAOYSA-N
XLogP-0.16
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpent-4-ynoic acid;hydrochloride
CID 88647692
2-[(2-amino-3-carboxypropanoyl)amino]pent-4-ynoic acid;hydrochloride
CID 139211089
tert-butyl (2S)-2-aminopent-4-ynoate
CID 44754800
(2R)-2-aminooct-7-ynoic acid
CID 87403836
2-amino-N-hydroxy-N-methylpent-4-ynamide
CID 130884466
(3S)-3-amino-1-phosphorosohex-5-yn-2-one
CID 129211157
(2S)-2-amino-4-oxohex-5-ynoic acid
CID 102115118
(2S)-2-amino-3-(3-ethynyldiazirin-3-yl)propanoic acid
CID 146587033
(2S)-2-aminohept-4-ynoic acid
CID 129155198
(2S)-2-[[(2R)-2-amino-3-carboxypropanoyl]amino]pent-4-ynoic acid
CID 129381095
(2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid
CID 107830312
(2S)-2-amino-N-propylpent-4-ynamide
CID 82668022

Frequently Asked Questions

What is the IUPAC name of 2-aminopent-4-ynoic acid;hydrochloride?
The IUPAC name of 2-aminopent-4-ynoic acid;hydrochloride (CID 53229946) is 2-aminopent-4-ynoic acid;hydrochloride.
What is the SMILES notation for 2-aminopent-4-ynoic acid;hydrochloride?
The canonical SMILES for 2-aminopent-4-ynoic acid;hydrochloride is C#CCC(N)C(=O)O.Cl.
What is the InChIKey of 2-aminopent-4-ynoic acid;hydrochloride?
The InChIKey is UAMBUICGODABQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.ClH/c1-2-3-4(6)5(7)8;/h1,4H,3,6H2,(H,7,8);1H.
What are the key properties of 2-aminopent-4-ynoic acid;hydrochloride?
2-aminopent-4-ynoic acid;hydrochloride has a molecular weight of 149.58 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopent-4-ynoic acid;hydrochloride is sourced from PubChem (CID 53229946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).