N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide

C13H18N2O2 — CID 114010271

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)C1CNC1
InChIInChI=1S/C13H18N2O2/c16-9-12(6-10-4-2-1-3-5-10)15-13(17)11-7-14-8-11/h1-5,11-12,14,16H,6-9H2,(H,15,17)/t12-/m0/s1
InChIKeyLMRLWBCTCIWUQS-LBPRGKRZSA-N
MW234.30 g/mol
LogP-0.07
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide (PubChem CID 114010271) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
PubChem CID114010271
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)C1CNC1
InChIInChI=1S/C13H18N2O2/c16-9-12(6-10-4-2-1-3-5-10)15-13(17)11-7-14-8-11/h1-5,11-12,14,16H,6-9H2,(H,15,17)/t12-/m0/s1
InChIKeyLMRLWBCTCIWUQS-LBPRGKRZSA-N
XLogP-0.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141325
(3R)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141485
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
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114010079
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide
CID 107861200
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
(4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 102046659
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]piperidine-2-carboxamide
CID 107860896
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide
CID 107863124

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide (CID 114010271) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide is O=C(N[C@H](CO)Cc1ccccc1)C1CNC1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide?
The InChIKey is LMRLWBCTCIWUQS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-9-12(6-10-4-2-1-3-5-10)15-13(17)11-7-14-8-11/h1-5,11-12,14,16H,6-9H2,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide is sourced from PubChem (CID 114010271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).