2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide

C13H18N2O2 — CID 110480688

IUPAC2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide
SMILESNC(CO)C(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C13H18N2O2/c14-11(9-16)12(17)15-13(7-4-8-13)10-5-2-1-3-6-10/h1-3,5-6,11,16H,4,7-9,14H2,(H,15,17)
InChIKeyPLWKCTDPQYYORX-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.50
Rot. Bonds4

About 2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide

2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide (PubChem CID 110480688) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide
PubChem CID110480688
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide
SMILESNC(CO)C(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C13H18N2O2/c14-11(9-16)12(17)15-13(7-4-8-13)10-5-2-1-3-6-10/h1-3,5-6,11,16H,4,7-9,14H2,(H,15,17)
InChIKeyPLWKCTDPQYYORX-UHFFFAOYSA-N
XLogP0.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(1-phenylcyclobutyl)propanamide
CID 119275385
2-hydroxy-2-phenyl-N-(1-phenylcyclobutyl)acetamide
CID 110883240
2-methyl-3-(methylamino)-N-(1-phenylcyclobutyl)propanamide;hydrochloride
CID 119697180
2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide
CID 12760544
ethyl N-(1-phenylcyclopentyl)carbamate
CID 110445044
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
4-oxo-4-[(1-phenylcyclopentyl)amino]butanoic acid
CID 110442749
1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea
CID 113216919
2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid
CID 110490888
2-cyclohexyl-N-(1-phenylcyclobutyl)acetamide
CID 55461959
(E)-N-(1-phenylcyclobutyl)but-2-enamide
CID 110478044
4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid
CID 110465792

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide (CID 110480688) is 2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide is NC(CO)C(=O)NC1(c2ccccc2)CCC1.
What is the InChIKey of 2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide?
The InChIKey is PLWKCTDPQYYORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-11(9-16)12(17)15-13(7-4-8-13)10-5-2-1-3-6-10/h1-3,5-6,11,16H,4,7-9,14H2,(H,15,17).
What are the key properties of 2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide?
2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide has a molecular weight of 234.30 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide is sourced from PubChem (CID 110480688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).