2-(1-chloroprop-2-enylamino)acetic acid

C5H8ClNO2 — CID 87728254

IUPAC2-(1-chloroprop-2-enylamino)acetic acid
SMILESC=CC(Cl)NCC(=O)O
InChIInChI=1S/C5H8ClNO2/c1-2-4(6)7-3-5(8)9/h2,4,7H,1,3H2,(H,8,9)
InChIKeyXEYUZSDERVXYAA-UHFFFAOYSA-N
MW149.58 g/mol
LogP0.41
Rot. Bonds4

About 2-(1-chloroprop-2-enylamino)acetic acid

2-(1-chloroprop-2-enylamino)acetic acid (PubChem CID 87728254) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is 2-(1-chloroprop-2-enylamino)acetic acid.

Molecular Properties

Compound Name2-(1-chloroprop-2-enylamino)acetic acid
PubChem CID87728254
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC Name2-(1-chloroprop-2-enylamino)acetic acid
SMILESC=CC(Cl)NCC(=O)O
InChIInChI=1S/C5H8ClNO2/c1-2-4(6)7-3-5(8)9/h2,4,7H,1,3H2,(H,8,9)
InChIKeyXEYUZSDERVXYAA-UHFFFAOYSA-N
XLogP0.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid
CID 54537730
2-(carboxymethylamino)propanedioic acid;hydrazine
CID 158445121
2-(carboxymethylamino)propanoic acid
CID 2764308
(4S)-4-(carboxymethylamino)-5-oxopentanoic acid
CID 177256795
2-[[(Z)-pent-3-en-2-yl]amino]acetic acid
CID 143858966
buta-1,3-diene;propanedioic acid
CID 122461573
2-[2-(prop-2-enoylamino)propanoylamino]acetic acid
CID 139812844
3-carbonochloridoylpent-4-enoic acid
CID 174682781
2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid
CID 88704450
2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid
CID 87825468
2-(carboxymethylamino)acetic acid
CID 8897
(3S)-3-hydroxypent-4-enoic acid
CID 12740485

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroprop-2-enylamino)acetic acid?
The IUPAC name of 2-(1-chloroprop-2-enylamino)acetic acid (CID 87728254) is 2-(1-chloroprop-2-enylamino)acetic acid.
What is the SMILES notation for 2-(1-chloroprop-2-enylamino)acetic acid?
The canonical SMILES for 2-(1-chloroprop-2-enylamino)acetic acid is C=CC(Cl)NCC(=O)O.
What is the InChIKey of 2-(1-chloroprop-2-enylamino)acetic acid?
The InChIKey is XEYUZSDERVXYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO2/c1-2-4(6)7-3-5(8)9/h2,4,7H,1,3H2,(H,8,9).
What are the key properties of 2-(1-chloroprop-2-enylamino)acetic acid?
2-(1-chloroprop-2-enylamino)acetic acid has a molecular weight of 149.58 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroprop-2-enylamino)acetic acid is sourced from PubChem (CID 87728254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).