2-(prop-2-ynylamino)acetic acid;hydrochloride

C5H8ClNO2 — CID 88630833

IUPAC2-(prop-2-ynylamino)acetic acid;hydrochloride
SMILESC#CCNCC(=O)O.Cl
InChIInChI=1S/C5H7NO2.ClH/c1-2-3-6-4-5(7)8;/h1,6H,3-4H2,(H,7,8);1H
InChIKeyFNXGPJXOXIEBNS-UHFFFAOYSA-N
MW149.58 g/mol
LogP-0.28
Rot. Bonds3

About 2-(prop-2-ynylamino)acetic acid;hydrochloride

2-(prop-2-ynylamino)acetic acid;hydrochloride (PubChem CID 88630833) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is 2-(prop-2-ynylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(prop-2-ynylamino)acetic acid;hydrochloride
PubChem CID88630833
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC Name2-(prop-2-ynylamino)acetic acid;hydrochloride
SMILESC#CCNCC(=O)O.Cl
InChIInChI=1S/C5H7NO2.ClH/c1-2-3-6-4-5(7)8;/h1,6H,3-4H2,(H,7,8);1H
InChIKeyFNXGPJXOXIEBNS-UHFFFAOYSA-N
XLogP-0.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(prop-2-ynylamino)acetic acid
CID 88693817
1-(prop-2-ynylamino)pent-4-yn-2-one
CID 116589319
3,3-dimethyl-1-(prop-2-ynylamino)butan-2-one
CID 116589515
2-(carboxymethylamino)acetic acid
CID 8897
3-ethyl-1-(prop-2-ynylamino)pentan-2-one
CID 116589606
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
3-hydroxy-4-(prop-2-ynylamino)butanoic acid
CID 103230585
5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid
CID 79272358
1-(prop-2-ynylamino)pent-4-en-2-one
CID 116589332
N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide
CID 78912839
1-(prop-2-ynylamino)hex-4-yn-2-one
CID 116589377
(2R)-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid
CID 79272201

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-ynylamino)acetic acid;hydrochloride?
The IUPAC name of 2-(prop-2-ynylamino)acetic acid;hydrochloride (CID 88630833) is 2-(prop-2-ynylamino)acetic acid;hydrochloride.
What is the SMILES notation for 2-(prop-2-ynylamino)acetic acid;hydrochloride?
The canonical SMILES for 2-(prop-2-ynylamino)acetic acid;hydrochloride is C#CCNCC(=O)O.Cl.
What is the InChIKey of 2-(prop-2-ynylamino)acetic acid;hydrochloride?
The InChIKey is FNXGPJXOXIEBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.ClH/c1-2-3-6-4-5(7)8;/h1,6H,3-4H2,(H,7,8);1H.
What are the key properties of 2-(prop-2-ynylamino)acetic acid;hydrochloride?
2-(prop-2-ynylamino)acetic acid;hydrochloride has a molecular weight of 149.58 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-ynylamino)acetic acid;hydrochloride is sourced from PubChem (CID 88630833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).