(2R)-2-[prop-2-enoyl(propyl)amino]propanoic acid

C9H15NO3 — CID 125471477

IUPAC(2R)-2-[prop-2-enoyl(propyl)amino]propanoic acid
SMILESC=CC(=O)N(CCC)[C@H](C)C(=O)O
InChIInChI=1S/C9H15NO3/c1-4-6-10(8(11)5-2)7(3)9(12)13/h5,7H,2,4,6H2,1,3H3,(H,12,13)/t7-/m1/s1
InChIKeyWCYZLLPOSIKHLY-SSDOTTSWSA-N
MW185.22 g/mol
LogP0.88
Rot. Bonds5

About (2R)-2-[prop-2-enoyl(propyl)amino]propanoic acid

(2R)-2-[prop-2-enoyl(propyl)amino]propanoic acid (PubChem CID 125471477) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (2R)-2-[prop-2-enoyl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[prop-2-enoyl(propyl)amino]propanoic acid
PubChem CID125471477
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(2R)-2-[prop-2-enoyl(propyl)amino]propanoic acid
SMILESC=CC(=O)N(CCC)[C@H](C)C(=O)O
InChIInChI=1S/C9H15NO3/c1-4-6-10(8(11)5-2)7(3)9(12)13/h5,7H,2,4,6H2,1,3H3,(H,12,13)/t7-/m1/s1
InChIKeyWCYZLLPOSIKHLY-SSDOTTSWSA-N
XLogP0.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.88
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
N-acryloyl-N-methyl-l-alanine
CID 15705249
2-(N-methylprop-2-enamido)acetic acid
CID 19028675
Maleimidobutyric acid
CID 22630718
N-(1-carboxypropyl)-(5h)-pyrrol-5-one
CID 129882545
N-acryloyl-N-methyl-l-valine
CID 162719603
Methyl N-Acryloyl-N-methyl-L-alaninate
CID 15705250

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[prop-2-enoyl(propyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[prop-2-enoyl(propyl)amino]propanoic acid (CID 125471477) is (2R)-2-[prop-2-enoyl(propyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[prop-2-enoyl(propyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[prop-2-enoyl(propyl)amino]propanoic acid is C=CC(=O)N(CCC)[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[prop-2-enoyl(propyl)amino]propanoic acid?
The InChIKey is WCYZLLPOSIKHLY-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-6-10(8(11)5-2)7(3)9(12)13/h5,7H,2,4,6H2,1,3H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-[prop-2-enoyl(propyl)amino]propanoic acid?
(2R)-2-[prop-2-enoyl(propyl)amino]propanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[prop-2-enoyl(propyl)amino]propanoic acid is sourced from PubChem (CID 125471477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).