(2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one

C15H27NO3 — CID 159347857

IUPAC(2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one
SMILESCCC(CC1CC1)C(C)=O.N[C@@H](CC1CC1)C(=O)O
InChIInChI=1S/C9H16O.C6H11NO2/c1-3-9(7(2)10)6-8-4-5-8;7-5(6(8)9)3-4-1-2-4/h8-9H,3-6H2,1-2H3;4-5H,1-3,7H2,(H,8,9)/t;5-/m.0/s1
InChIKeyLGYKSQUCLJKBKT-ZSCHJXSPSA-N
MW269.38 g/mol
LogP2.60
Rot. Bonds7

About (2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one

(2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one (PubChem CID 159347857) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one
PubChem CID159347857
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one
SMILESCCC(CC1CC1)C(C)=O.N[C@@H](CC1CC1)C(=O)O
InChIInChI=1S/C9H16O.C6H11NO2/c1-3-9(7(2)10)6-8-4-5-8;7-5(6(8)9)3-4-1-2-4/h8-9H,3-6H2,1-2H3;4-5H,1-3,7H2,(H,8,9)/t;5-/m.0/s1
InChIKeyLGYKSQUCLJKBKT-ZSCHJXSPSA-N
XLogP2.60
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-cyclopropylpropanoic acid
CID 519178
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
2-[(4-hydroxycyclohexyl)methyl]butanoic acid
CID 142704422
2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid
CID 83983041
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057
(2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167126196
(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167112853
2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid
CID 173198300
2-(cyclopropylmethyl)-3-oxobutanoic acid
CID 135150499
3-amino-4-cyclohexylbutan-2-one
CID 20668322
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
(2S)-2-amino-3-(4,4-difluorocyclohexyl)propanoic acid;hydrochloride
CID 138958473

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one?
The IUPAC name of (2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one (CID 159347857) is (2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one.
What is the SMILES notation for (2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one?
The canonical SMILES for (2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one is CCC(CC1CC1)C(C)=O.N[C@@H](CC1CC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one?
The InChIKey is LGYKSQUCLJKBKT-ZSCHJXSPSA-N. The full InChI is InChI=1S/C9H16O.C6H11NO2/c1-3-9(7(2)10)6-8-4-5-8;7-5(6(8)9)3-4-1-2-4/h8-9H,3-6H2,1-2H3;4-5H,1-3,7H2,(H,8,9)/t;5-/m.0/s1.
What are the key properties of (2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one?
(2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one has a molecular weight of 269.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one is sourced from PubChem (CID 159347857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).