4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide

C15H20N2O2 — CID 107863124

IUPAC4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)N[C@H](CO)Cc2ccccc2)C1
InChIInChI=1S/C15H20N2O2/c16-13-7-6-12(9-13)15(19)17-14(10-18)8-11-4-2-1-3-5-11/h1-7,12-14,18H,8-10,16H2,(H,17,19)/t12?,13?,14-/m0/s1
InChIKeyLTJXFFJVEBXRRM-RUXDESIVSA-N
MW260.34 g/mol
LogP0.61
Rot. Bonds5

About 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide

4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide (PubChem CID 107863124) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide
PubChem CID107863124
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)N[C@H](CO)Cc2ccccc2)C1
InChIInChI=1S/C15H20N2O2/c16-13-7-6-12(9-13)15(19)17-14(10-18)8-11-4-2-1-3-5-11/h1-7,12-14,18H,8-10,16H2,(H,17,19)/t12?,13?,14-/m0/s1
InChIKeyLTJXFFJVEBXRRM-RUXDESIVSA-N
XLogP0.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114010079
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 64824862
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide
CID 107863151
(2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid
CID 104898564
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
CID 114010271
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-(1-hydroxy-3-phenylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 63261072
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 107861462
2-(cyclopentylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107860961
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
(1S,2S,3R,4R)-3-(bromomethyl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 102059332

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide (CID 107863124) is 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)N[C@H](CO)Cc2ccccc2)C1.
What is the InChIKey of 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide?
The InChIKey is LTJXFFJVEBXRRM-RUXDESIVSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-13-7-6-12(9-13)15(19)17-14(10-18)8-11-4-2-1-3-5-11/h1-7,12-14,18H,8-10,16H2,(H,17,19)/t12?,13?,14-/m0/s1.
What are the key properties of 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 107863124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).