2-(2-cyclopropylpropanoylamino)propanoic acid

C9H15NO3 — CID 81456146

IUPAC2-(2-cyclopropylpropanoylamino)propanoic acid
SMILESCC(NC(=O)C(C)C1CC1)C(=O)O
InChIInChI=1S/C9H15NO3/c1-5(7-3-4-7)8(11)10-6(2)9(12)13/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyXBSYABNJEGUGPI-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.62
Rot. Bonds4

About 2-(2-cyclopropylpropanoylamino)propanoic acid

2-(2-cyclopropylpropanoylamino)propanoic acid (PubChem CID 81456146) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(2-cyclopropylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-cyclopropylpropanoylamino)propanoic acid
PubChem CID81456146
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(2-cyclopropylpropanoylamino)propanoic acid
SMILESCC(NC(=O)C(C)C1CC1)C(=O)O
InChIInChI=1S/C9H15NO3/c1-5(7-3-4-7)8(11)10-6(2)9(12)13/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyXBSYABNJEGUGPI-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(azetidin-3-yl)propanoylamino]propanoic acid
CID 116676916
tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate
CID 81004307
2-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83147334
2-(dicyclopropylmethylcarbamoylamino)propanoic acid
CID 61480782
(2S)-2-(2-cyclopropylpropanoylamino)-4-methoxy-4-oxobutanoic acid
CID 83146560
2-cyclopropyl-N-(3-hydroxypropyl)propanamide
CID 81449535
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid
CID 116677711
2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103801532
2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
CID 119225683
N-(2-bromoethyl)-2-cyclopropylpropanamide
CID 83154146
2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid
CID 119225381

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylpropanoylamino)propanoic acid?
The IUPAC name of 2-(2-cyclopropylpropanoylamino)propanoic acid (CID 81456146) is 2-(2-cyclopropylpropanoylamino)propanoic acid.
What is the SMILES notation for 2-(2-cyclopropylpropanoylamino)propanoic acid?
The canonical SMILES for 2-(2-cyclopropylpropanoylamino)propanoic acid is CC(NC(=O)C(C)C1CC1)C(=O)O.
What is the InChIKey of 2-(2-cyclopropylpropanoylamino)propanoic acid?
The InChIKey is XBSYABNJEGUGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5(7-3-4-7)8(11)10-6(2)9(12)13/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-(2-cyclopropylpropanoylamino)propanoic acid?
2-(2-cyclopropylpropanoylamino)propanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylpropanoylamino)propanoic acid is sourced from PubChem (CID 81456146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).