(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide

C12H18N2O2 — CID 107568565

IUPAC(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C12H18N2O2/c1-2-4-11(13)12(16)14-10-6-3-5-9(7-10)8-15/h3,5-7,11,15H,2,4,8,13H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyUUFQPBSNJFFMNF-NSHDSACASA-N
MW222.29 g/mol
LogP1.24
Rot. Bonds5

About (2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide

(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide (PubChem CID 107568565) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
PubChem CID107568565
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C12H18N2O2/c1-2-4-11(13)12(16)14-10-6-3-5-9(7-10)8-15/h3,5-7,11,15H,2,4,8,13H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyUUFQPBSNJFFMNF-NSHDSACASA-N
XLogP1.24
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986
2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide
CID 119343981
2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide
CID 119327254
2-amino-N-(3-propan-2-ylphenyl)pentanamide
CID 43650216
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 61179301
2-[3-[[(2S)-2-aminohexanoyl]amino]phenyl]acetic acid
CID 107145776
2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride
CID 119306590
(2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide
CID 104904818
N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide
CID 111118110
2-amino-N-(3-nitrophenyl)pentanamide
CID 113223757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide (CID 107568565) is (2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide is CCC[C@H](N)C(=O)Nc1cccc(CO)c1.
What is the InChIKey of (2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide?
The InChIKey is UUFQPBSNJFFMNF-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-4-11(13)12(16)14-10-6-3-5-9(7-10)8-15/h3,5-7,11,15H,2,4,8,13H2,1H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide?
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide has a molecular weight of 222.29 g/mol, XLogP of 1.24, 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-[3-(hydroxymethyl)phenyl]pentanamide is sourced from PubChem (CID 107568565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).