(2S)-2-[methyl(prop-2-enoyl)amino]propanoic acid

C7H11NO3 — CID 15705249

IUPAC(2S)-2-[methyl(prop-2-enoyl)amino]propanoic acid
SMILESC=CC(=O)N(C)[C@@H](C)C(=O)O
InChIInChI=1S/C7H11NO3/c1-4-6(9)8(3)5(2)7(10)11/h4-5H,1H2,2-3H3,(H,10,11)/t5-/m0/s1
InChIKeyQDQIPLFMPSHKQL-YFKPBYRVSA-N
MW157.17 g/mol
LogP0.10
Rot. Bonds3

About (2S)-2-[methyl(prop-2-enoyl)amino]propanoic acid

(2S)-2-[methyl(prop-2-enoyl)amino]propanoic acid (PubChem CID 15705249) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2S)-2-[methyl(prop-2-enoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[methyl(prop-2-enoyl)amino]propanoic acid
PubChem CID15705249
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(2S)-2-[methyl(prop-2-enoyl)amino]propanoic acid
SMILESC=CC(=O)N(C)[C@@H](C)C(=O)O
InChIInChI=1S/C7H11NO3/c1-4-6(9)8(3)5(2)7(10)11/h4-5H,1H2,2-3H3,(H,10,11)/t5-/m0/s1
InChIKeyQDQIPLFMPSHKQL-YFKPBYRVSA-N
XLogP0.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-acryloyl-L-alanine
CID 10419296
2-(N-ethylprop-2-enamido)acetic acid
CID 22364021
n-Acryloylalanine
CID 240000
2-(2,5-Dioxopyrrol-1-yl)propanoic acid
CID 319936
N-fumaryl-l-alanine
CID 1088478
N-fumaryl-d-ala
CID 1088479
2-(N-methylprop-2-enamido)acetic acid
CID 19028675
Methyl croton ylglycin
CID 24704117
N-(1-carboxypropyl)-(5h)-pyrrol-5-one
CID 129882545
N-acryloyl-N-methyl-l-valine
CID 162719603
(2S)-2-(3-fluoroprop-2-enoylamino)propanoic acid
CID 54215539
2-[N-(prop-2-en-1-yl)acetamido]acetic acid
CID 10820828

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(prop-2-enoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[methyl(prop-2-enoyl)amino]propanoic acid (CID 15705249) is (2S)-2-[methyl(prop-2-enoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[methyl(prop-2-enoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[methyl(prop-2-enoyl)amino]propanoic acid is C=CC(=O)N(C)[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[methyl(prop-2-enoyl)amino]propanoic acid?
The InChIKey is QDQIPLFMPSHKQL-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-6(9)8(3)5(2)7(10)11/h4-5H,1H2,2-3H3,(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-[methyl(prop-2-enoyl)amino]propanoic acid?
(2S)-2-[methyl(prop-2-enoyl)amino]propanoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(prop-2-enoyl)amino]propanoic acid is sourced from PubChem (CID 15705249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).