(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride

C15H23ClN2O2 — CID 119275692

IUPAC(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC(c1ccc(OC)cc1)C1CC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-3-13(16)15(18)17-14(10-4-5-10)11-6-8-12(19-2)9-7-11;/h6-10,13-14H,3-5,16H2,1-2H3,(H,17,18);1H/t13-,14?;/m0./s1
InChIKeyIBWBGXKTURNXIV-GPFYXIAXSA-N
MW298.81 g/mol
LogP2.42
Rot. Bonds6

About (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride

(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride (PubChem CID 119275692) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
PubChem CID119275692
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC(c1ccc(OC)cc1)C1CC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-3-13(16)15(18)17-14(10-4-5-10)11-6-8-12(19-2)9-7-11;/h6-10,13-14H,3-5,16H2,1-2H3,(H,17,18);1H/t13-,14?;/m0./s1
InChIKeyIBWBGXKTURNXIV-GPFYXIAXSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide
CID 107569374
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 65229389
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide
CID 62837500
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 65229390
(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419
(2R)-2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363875
(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364305
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 79348785
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119697842

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride (CID 119275692) is (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride is CC[C@H](N)C(=O)NC(c1ccc(OC)cc1)C1CC1.Cl.
What is the InChIKey of (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride?
The InChIKey is IBWBGXKTURNXIV-GPFYXIAXSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-3-13(16)15(18)17-14(10-4-5-10)11-6-8-12(19-2)9-7-11;/h6-10,13-14H,3-5,16H2,1-2H3,(H,17,18);1H/t13-,14?;/m0./s1.
What are the key properties of (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride?
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.42, 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-(4-methoxyphenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119275692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).