(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide

C14H18N2O2 — CID 58155377

IUPAC(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
SMILESCC[C@H](NC(=O)[C@@H]1CC1c1ccccc1)C(N)=O
InChIInChI=1S/C14H18N2O2/c1-2-12(13(15)17)16-14(18)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3,(H2,15,17)(H,16,18)/t10?,11-,12+/m1/s1
InChIKeyLECSEARZMMLTFN-SAIIYOCFSA-N
MW246.31 g/mol
LogP1.17
Rot. Bonds5

About (1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide

(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 58155377) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
PubChem CID58155377
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
SMILESCC[C@H](NC(=O)[C@@H]1CC1c1ccccc1)C(N)=O
InChIInChI=1S/C14H18N2O2/c1-2-12(13(15)17)16-14(18)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3,(H2,15,17)(H,16,18)/t10?,11-,12+/m1/s1
InChIKeyLECSEARZMMLTFN-SAIIYOCFSA-N
XLogP1.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide;(2S)-2-(chloroamino)butanamide;dichloromethane;N,N-diethylethanamine;(1R)-2-phenylcyclopropane-1-carbonyl chloride
CID 158895196
(2S)-2-[(2-phenylcyclopropanecarbonyl)amino]hexanoic acid
CID 107144642
methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate
CID 78971251
2-[(2-phenylcyclopropyl)amino]butanamide
CID 62901755
(2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107823606
N-(4-bromobutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 83180682
N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide
CID 107261035
2-phenyl-N-(4-phenylbutan-2-yl)cyclopropane-1-carboxamide
CID 4072324
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
(1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363591
(2S)-2-(benzylamino)butanamide
CID 131998527
trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 124787259

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide (CID 58155377) is (1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide is CC[C@H](NC(=O)[C@@H]1CC1c1ccccc1)C(N)=O.
What is the InChIKey of (1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is LECSEARZMMLTFN-SAIIYOCFSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-12(13(15)17)16-14(18)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3,(H2,15,17)(H,16,18)/t10?,11-,12+/m1/s1.
What are the key properties of (1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide?
(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 58155377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).