(2S)-2-amino-N-(2-hydroxybutyl)propanamide

C7H16N2O2 — CID 104866791

IUPAC(2S)-2-amino-N-(2-hydroxybutyl)propanamide
SMILESCCC(O)CNC(=O)[C@H](C)N
InChIInChI=1S/C7H16N2O2/c1-3-6(10)4-9-7(11)5(2)8/h5-6,10H,3-4,8H2,1-2H3,(H,9,11)/t5-,6?/m0/s1
InChIKeyZSFZBTUKQVMHKE-ZBHICJROSA-N
MW160.22 g/mol
LogP-0.78
Rot. Bonds4

About (2S)-2-amino-N-(2-hydroxybutyl)propanamide

(2S)-2-amino-N-(2-hydroxybutyl)propanamide (PubChem CID 104866791) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxybutyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxybutyl)propanamide
PubChem CID104866791
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(2S)-2-amino-N-(2-hydroxybutyl)propanamide
SMILESCCC(O)CNC(=O)[C@H](C)N
InChIInChI=1S/C7H16N2O2/c1-3-6(10)4-9-7(11)5(2)8/h5-6,10H,3-4,8H2,1-2H3,(H,9,11)/t5-,6?/m0/s1
InChIKeyZSFZBTUKQVMHKE-ZBHICJROSA-N
XLogP-0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-hydroxybutyl)-4-methylpentanamide
CID 104904032
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
(2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide
CID 134189475
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 103797355
2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid
CID 65224335
methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate
CID 103846044
N'-(2-hydroxybutyl)oxamide
CID 175586464
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2R)-2-amino-N-(2-fluoroethyl)propanamide
CID 90216538
2-amino-N-propylpropanamide;ethane
CID 142837247
(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide
CID 78973572
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxybutyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxybutyl)propanamide (CID 104866791) is (2S)-2-amino-N-(2-hydroxybutyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxybutyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxybutyl)propanamide is CCC(O)CNC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxybutyl)propanamide?
The InChIKey is ZSFZBTUKQVMHKE-ZBHICJROSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-3-6(10)4-9-7(11)5(2)8/h5-6,10H,3-4,8H2,1-2H3,(H,9,11)/t5-,6?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxybutyl)propanamide?
(2S)-2-amino-N-(2-hydroxybutyl)propanamide has a molecular weight of 160.22 g/mol, XLogP of -0.78, 4 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-hydroxybutyl)propanamide is sourced from PubChem (CID 104866791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).