(2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide

C17H26N2O2 — CID 104984765

IUPAC(2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NC1CCCCCC1O
InChIInChI=1S/C17H26N2O2/c18-14(12-11-13-7-3-1-4-8-13)17(21)19-15-9-5-2-6-10-16(15)20/h1,3-4,7-8,14-16,20H,2,5-6,9-12,18H2,(H,19,21)/t14-,15?,16?/m0/s1
InChIKeyYPJXIGRPJUEZGW-FHERZECASA-N
MW290.41 g/mol
LogP1.76
Rot. Bonds5

About (2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide

(2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide (PubChem CID 104984765) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide
PubChem CID104984765
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NC1CCCCCC1O
InChIInChI=1S/C17H26N2O2/c18-14(12-11-13-7-3-1-4-8-13)17(21)19-15-9-5-2-6-10-16(15)20/h1,3-4,7-8,14-16,20H,2,5-6,9-12,18H2,(H,19,21)/t14-,15?,16?/m0/s1
InChIKeyYPJXIGRPJUEZGW-FHERZECASA-N
XLogP1.76
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Ubenimex
CID 72172
L-Phenylalanyl-L-phenylalanine
CID 6993090
Leu-phe
CID 6992310
L-alanyl-L-phenylalanine
CID 96814
Val-Phe
CID 6993120
Ser-Phe
CID 7009598
Thr-Phe
CID 7010580
L-Phenylalanyl-L-leucine
CID 76808
(2S)-2-[[(2S,3R)-3-azaniumyl-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoate
CID 6992132
N-[(2r,3r)-3-Amino-2-Hydroxy-4-Phenylbutanoyl]-L-Leucine
CID 9995423
N-oleoyl phenylalanine
CID 52922059
Glycyl-L-phenylalanine
CID 92953

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide (CID 104984765) is (2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide is N[C@@H](CCc1ccccc1)C(=O)NC1CCCCCC1O.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide?
The InChIKey is YPJXIGRPJUEZGW-FHERZECASA-N. The full InChI is InChI=1S/C17H26N2O2/c18-14(12-11-13-7-3-1-4-8-13)17(21)19-15-9-5-2-6-10-16(15)20/h1,3-4,7-8,14-16,20H,2,5-6,9-12,18H2,(H,19,21)/t14-,15?,16?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide?
(2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide is sourced from PubChem (CID 104984765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).