methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate

C17H18N2O3 — CID 118163587

IUPACmethyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate
SMILESCOC(=O)NC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-22-17(21)19-16(20)15(18)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10,15H,11,18H2,1H3,(H,19,20,21)/t15-/m0/s1
InChIKeyHHXKASZGRYIJEP-HNNXBMFYSA-N
MW298.34 g/mol
LogP2.11
Rot. Bonds4

About methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate

methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate (PubChem CID 118163587) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate
PubChem CID118163587
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate
SMILESCOC(=O)NC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-22-17(21)19-16(20)15(18)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10,15H,11,18H2,1H3,(H,19,20,21)/t15-/m0/s1
InChIKeyHHXKASZGRYIJEP-HNNXBMFYSA-N
XLogP2.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550
2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide
CID 135306568
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate
CID 173414355
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892
2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 66615741
tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
CID 141206452
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoate
CID 11425598

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate?
The IUPAC name of methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate (CID 118163587) is methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate.
What is the SMILES notation for methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate?
The canonical SMILES for methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate is COC(=O)NC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate?
The InChIKey is HHXKASZGRYIJEP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-22-17(21)19-16(20)15(18)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10,15H,11,18H2,1H3,(H,19,20,21)/t15-/m0/s1.
What are the key properties of methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate?
methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate has a molecular weight of 298.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate is sourced from PubChem (CID 118163587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).