2-amino-3-cyclopropylpropanoic acid

C6H11NO2 — CID 519178

IUPAC2-amino-3-cyclopropylpropanoic acid
SMILESNC(CC1CC1)C(=O)O
InChIInChI=1S/C6H11NO2/c7-5(6(8)9)3-4-1-2-4/h4-5H,1-3,7H2,(H,8,9)
InChIKeyXGUXJMWPVJQIHI-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.20
Rot. Bonds3

About 2-amino-3-cyclopropylpropanoic acid

2-amino-3-cyclopropylpropanoic acid (PubChem CID 519178) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-amino-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-cyclopropylpropanoic acid
PubChem CID519178
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-amino-3-cyclopropylpropanoic acid
SMILESNC(CC1CC1)C(=O)O
InChIInChI=1S/C6H11NO2/c7-5(6(8)9)3-4-1-2-4/h4-5H,1-3,7H2,(H,8,9)
InChIKeyXGUXJMWPVJQIHI-UHFFFAOYSA-N
XLogP0.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
(2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one
CID 159347857
(2S)-2-amino-3-(4,4-difluorocyclohexyl)propanoic acid;hydrochloride
CID 138958473
2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid
CID 83983041
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
4-[4-[(2S)-2-amino-2-carboxyethyl]piperidin-1-yl]-4-oxobutanoic acid
CID 177194425
(2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid
CID 177277776
(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167112853
(2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167126196
2-amino-3-cyclopropyl-N-oxopropanamide
CID 143351908
2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid
CID 165440343

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclopropylpropanoic acid?
The IUPAC name of 2-amino-3-cyclopropylpropanoic acid (CID 519178) is 2-amino-3-cyclopropylpropanoic acid.
What is the SMILES notation for 2-amino-3-cyclopropylpropanoic acid?
The canonical SMILES for 2-amino-3-cyclopropylpropanoic acid is NC(CC1CC1)C(=O)O.
What is the InChIKey of 2-amino-3-cyclopropylpropanoic acid?
The InChIKey is XGUXJMWPVJQIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c7-5(6(8)9)3-4-1-2-4/h4-5H,1-3,7H2,(H,8,9).
What are the key properties of 2-amino-3-cyclopropylpropanoic acid?
2-amino-3-cyclopropylpropanoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclopropylpropanoic acid is sourced from PubChem (CID 519178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).