(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide

C15H22N2O2 — CID 93375654

IUPAC(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C15H22N2O2/c1-2-4-14(16)15(19)17(12-7-8-12)10-11-5-3-6-13(18)9-11/h3,5-6,9,12,14,18H,2,4,7-8,10,16H2,1H3/t14-/m0/s1
InChIKeyDWUNVPJWBYVMSG-AWEZNQCLSA-N
MW262.35 g/mol
LogP2.01
Rot. Bonds6

About (2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide

(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide (PubChem CID 93375654) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide
PubChem CID93375654
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C15H22N2O2/c1-2-4-14(16)15(19)17(12-7-8-12)10-11-5-3-6-13(18)9-11/h3,5-6,9,12,14,18H,2,4,7-8,10,16H2,1H3/t14-/m0/s1
InChIKeyDWUNVPJWBYVMSG-AWEZNQCLSA-N
XLogP2.01
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide
CID 103929366
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
CID 60938574
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide
CID 60939195
2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride
CID 119298871
(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide
CID 93369625
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
CID 114997619
(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide
CID 93370556
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114328289
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide
CID 103801005
(2S)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 97197422
(2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 97197423

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide (CID 93375654) is (2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide is CCC[C@H](N)C(=O)N(Cc1cccc(O)c1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide?
The InChIKey is DWUNVPJWBYVMSG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-4-14(16)15(19)17(12-7-8-12)10-11-5-3-6-13(18)9-11/h3,5-6,9,12,14,18H,2,4,7-8,10,16H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide?
(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide has a molecular weight of 262.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide is sourced from PubChem (CID 93375654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).