2-amino-3-(2-methylprop-2-enoylamino)propanoic acid

C7H12N2O3 — CID 58271880

IUPAC2-amino-3-(2-methylprop-2-enoylamino)propanoic acid
SMILESC=C(C)C(=O)NCC(N)C(=O)O
InChIInChI=1S/C7H12N2O3/c1-4(2)6(10)9-3-5(8)7(11)12/h5H,1,3,8H2,2H3,(H,9,10)(H,11,12)
InChIKeySXJFNMNUUHZGSJ-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.91
Rot. Bonds4

About 2-amino-3-(2-methylprop-2-enoylamino)propanoic acid

2-amino-3-(2-methylprop-2-enoylamino)propanoic acid (PubChem CID 58271880) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-amino-3-(2-methylprop-2-enoylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-methylprop-2-enoylamino)propanoic acid
PubChem CID58271880
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-amino-3-(2-methylprop-2-enoylamino)propanoic acid
SMILESC=C(C)C(=O)NCC(N)C(=O)O
InChIInChI=1S/C7H12N2O3/c1-4(2)6(10)9-3-5(8)7(11)12/h5H,1,3,8H2,2H3,(H,9,10)(H,11,12)
InChIKeySXJFNMNUUHZGSJ-UHFFFAOYSA-N
XLogP-0.91
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(((2E)-4-Amino-1,4-dioxo-2-buten-1-yl)amino)-L-alanine
CID 6439892
Methacryloylglycylglycine
CID 10241886
N-methacryloyl-beta-alanine
CID 22483843
N-Methacryloylalanine
CID 22826844
2-(2-Methylprop-2-enoylamino)propanoic acid
CID 324197
2-(Acetamidomethyl)prop-2-enoic acid
CID 18513114
2-[2-(2-Methylprop-2-enoylamino)propanoylamino]propanoic acid
CID 20493958
N-(2-Methylacryloyl)glycylglycylglycine
CID 20493960
2-Carboxyethyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 22178958
(1-Amino-1-carboxybutan-2-yl)-dimethyl-(2-methylprop-2-enoyl)azanium
CID 22244846
(2R)-2-(2-methylprop-2-enoylamino)propanoic acid
CID 38988703
(2S)-2-[[(2S)-2-(2-methylprop-2-enoylamino)propanoyl]amino]propanoic acid
CID 54174420

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylprop-2-enoylamino)propanoic acid?
The IUPAC name of 2-amino-3-(2-methylprop-2-enoylamino)propanoic acid (CID 58271880) is 2-amino-3-(2-methylprop-2-enoylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-methylprop-2-enoylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(2-methylprop-2-enoylamino)propanoic acid is C=C(C)C(=O)NCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-methylprop-2-enoylamino)propanoic acid?
The InChIKey is SXJFNMNUUHZGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-4(2)6(10)9-3-5(8)7(11)12/h5H,1,3,8H2,2H3,(H,9,10)(H,11,12).
What are the key properties of 2-amino-3-(2-methylprop-2-enoylamino)propanoic acid?
2-amino-3-(2-methylprop-2-enoylamino)propanoic acid has a molecular weight of 172.18 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylprop-2-enoylamino)propanoic acid is sourced from PubChem (CID 58271880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).