methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate

C21H24N2O5 — CID 101052198

IUPACmethyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)C(O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C21H24N2O5/c1-28-19(25)14-22-21(27)20(26)17(12-15-8-4-2-5-9-15)23-18(24)13-16-10-6-3-7-11-16/h2-11,17,20,26H,12-14H2,1H3,(H,22,27)(H,23,24)/t17-,20?/m0/s1
InChIKeyUOCBSLGZAYWMPT-DIMJTDRSSA-N
MW384.43 g/mol
LogP0.61
Rot. Bonds9

About methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate

methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate (PubChem CID 101052198) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate
PubChem CID101052198
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namemethyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)C(O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C21H24N2O5/c1-28-19(25)14-22-21(27)20(26)17(12-15-8-4-2-5-9-15)23-18(24)13-16-10-6-3-7-11-16/h2-11,17,20,26H,12-14H2,1H3,(H,22,27)(H,23,24)/t17-,20?/m0/s1
InChIKeyUOCBSLGZAYWMPT-DIMJTDRSSA-N
XLogP0.61
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate with MolForge

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Related Compounds

[(3R)-3-hydroxy-4-(methoxymethylamino)-4-oxo-1-phenylbutan-2-yl]carbamic acid
CID 70204739
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
[(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid
CID 90717635
tert-butyl N-[(2S)-4-(butylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
CID 69027551
tert-butyl N-[4-(3-chloropropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
CID 141301552
[(2S)-3-hydroxy-4-oxo-1-phenyl-4-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
CID 91315890
methyl 2-[[(3S)-2-hydroxy-4-methyl-3-[[2-(phenylmethoxycarbonylamino)acetyl]amino]pentanoyl]amino]acetate
CID 101052206
methyl 2-[[(2R,3R)-2,3-dibenzyl-4-oxo-4-(phenylmethoxyamino)butanoyl]amino]acetate
CID 139618755
methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate
CID 58817588
methyl 2-[[2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]acetyl]amino]acetate;hydrochloride
CID 119282834

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate?
The IUPAC name of methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate (CID 101052198) is methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate is COC(=O)CNC(=O)C(O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1.
What is the InChIKey of methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate?
The InChIKey is UOCBSLGZAYWMPT-DIMJTDRSSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-28-19(25)14-22-21(27)20(26)17(12-15-8-4-2-5-9-15)23-18(24)13-16-10-6-3-7-11-16/h2-11,17,20,26H,12-14H2,1H3,(H,22,27)(H,23,24)/t17-,20?/m0/s1.
What are the key properties of methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate?
methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate has a molecular weight of 384.43 g/mol, XLogP of 0.61, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate is sourced from PubChem (CID 101052198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).