N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide

C13H16N2O3 — CID 107261035

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide
SMILESNC(=O)C(O)CNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C13H16N2O3/c14-12(17)11(16)7-15-13(18)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-11,16H,6-7H2,(H2,14,17)(H,15,18)
InChIKeyHFVFCFJYLKHIHB-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.25
Rot. Bonds5

About N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 107261035) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID107261035
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide
SMILESNC(=O)C(O)CNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C13H16N2O3/c14-12(17)11(16)7-15-13(18)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-11,16H,6-7H2,(H2,14,17)(H,15,18)
InChIKeyHFVFCFJYLKHIHB-UHFFFAOYSA-N
XLogP-0.25
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111102549
trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide
CID 124735793
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 110280040
N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111471582
(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 58155377
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 80710988
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 99776033
N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide
CID 115594336
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide
CID 172583738
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide (CID 107261035) is N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide is NC(=O)C(O)CNC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is HFVFCFJYLKHIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-12(17)11(16)7-15-13(18)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-11,16H,6-7H2,(H2,14,17)(H,15,18).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 248.28 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 107261035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).