4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide

C12H17NO3 — CID 107863809

IUPAC4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
SMILESO=C(CCCO)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H17NO3/c14-8-4-7-12(16)13-11(9-15)10-5-2-1-3-6-10/h1-3,5-6,11,14-15H,4,7-9H2,(H,13,16)/t11-/m0/s1
InChIKeyLGRBDBLRSOBIRG-NSHDSACASA-N
MW223.27 g/mol
LogP0.61
Rot. Bonds6

About 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide

4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide (PubChem CID 107863809) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
PubChem CID107863809
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
SMILESO=C(CCCO)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H17NO3/c14-8-4-7-12(16)13-11(9-15)10-5-2-1-3-6-10/h1-3,5-6,11,14-15H,4,7-9H2,(H,13,16)/t11-/m0/s1
InChIKeyLGRBDBLRSOBIRG-NSHDSACASA-N
XLogP0.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734
N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 59924200
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
CID 110002001
N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide
CID 67310926
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide
CID 110001835
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
CID 103944973
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide
CID 103946356
N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide
CID 91638874

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide?
The IUPAC name of 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide (CID 107863809) is 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide is O=C(CCCO)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide?
The InChIKey is LGRBDBLRSOBIRG-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NO3/c14-8-4-7-12(16)13-11(9-15)10-5-2-1-3-6-10/h1-3,5-6,11,14-15H,4,7-9H2,(H,13,16)/t11-/m0/s1.
What are the key properties of 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide?
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide has a molecular weight of 223.27 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide is sourced from PubChem (CID 107863809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).