(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide

C12H18N2O2 — CID 79025425

IUPAC(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
SMILESCC[C@H](N)C(=O)NC(C)c1cccc(O)c1
InChIInChI=1S/C12H18N2O2/c1-3-11(13)12(16)14-8(2)9-5-4-6-10(15)7-9/h4-8,11,15H,3,13H2,1-2H3,(H,14,16)/t8?,11-/m0/s1
InChIKeyCXLTYYKCSMVNMC-LYNSQETBSA-N
MW222.29 g/mol
LogP1.31
Rot. Bonds4

About (2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide

(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide (PubChem CID 79025425) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
PubChem CID79025425
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
SMILESCC[C@H](N)C(=O)NC(C)c1cccc(O)c1
InChIInChI=1S/C12H18N2O2/c1-3-11(13)12(16)14-8(2)9-5-4-6-10(15)7-9/h4-8,11,15H,3,13H2,1-2H3,(H,14,16)/t8?,11-/m0/s1
InChIKeyCXLTYYKCSMVNMC-LYNSQETBSA-N
XLogP1.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(3-bromophenyl)ethyl]butanamide
CID 79025388
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61153949
(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
CID 119282390
(2R)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 113353325
2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 76893024
(2S)-2-amino-N-[1-(3-nitrophenyl)ethyl]butanamide;hydrochloride
CID 119287283
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 60837485
2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 54925343
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea
CID 95239729

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide (CID 79025425) is (2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide is CC[C@H](N)C(=O)NC(C)c1cccc(O)c1.
What is the InChIKey of (2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide?
The InChIKey is CXLTYYKCSMVNMC-LYNSQETBSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-11(13)12(16)14-8(2)9-5-4-6-10(15)7-9/h4-8,11,15H,3,13H2,1-2H3,(H,14,16)/t8?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide?
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.31, 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-[1-(3-hydroxyphenyl)ethyl]butanamide is sourced from PubChem (CID 79025425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).