methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate

C19H24N2O6 — CID 10833350

IUPACmethyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate
SMILESCOC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1COCCC1=O
InChIInChI=1S/C19H24N2O6/c1-26-18(24)8-7-17(23)20-14(11-13-5-3-2-4-6-13)19(25)21-15-12-27-10-9-16(15)22/h2-6,14-15H,7-12H2,1H3,(H,20,23)(H,21,25)/t14-,15+/m0/s1
InChIKeyKDFWMMNLWNZMIR-LSDHHAIUSA-N
MW376.41 g/mol
LogP0.14
Rot. Bonds8

About methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate

methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate (PubChem CID 10833350) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate
PubChem CID10833350
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Namemethyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate
SMILESCOC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1COCCC1=O
InChIInChI=1S/C19H24N2O6/c1-26-18(24)8-7-17(23)20-14(11-13-5-3-2-4-6-13)19(25)21-15-12-27-10-9-16(15)22/h2-6,14-15H,7-12H2,1H3,(H,20,23)(H,21,25)/t14-,15+/m0/s1
InChIKeyKDFWMMNLWNZMIR-LSDHHAIUSA-N
XLogP0.14
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-[(3S)-2-oxothiolan-3-yl]-3-phenyl-2-(3-phenylpropanoylamino)propanamide
CID 10023661
(2R)-2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 119367062
2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 120580724
methyl 4-[[(2S,3S,5S)-3-hydroxy-5-(oxane-4-carbonylamino)-1,6-diphenylhexan-2-yl]amino]-4-oxobutanoate
CID 25096372
(2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide
CID 10968718
[(3S)-3-[[(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-3-phenylpropanoyl]amino]-2-oxobutyl] 2,4,6-trimethylbenzoate
CID 10324072
methyl 4-[[(2S,3S,5S)-3-hydroxy-8-methyl-5-(oxane-4-carbonylamino)-1-phenylnonan-2-yl]amino]-4-oxobutanoate
CID 15948489
methyl 5-benzamido-4-oxo-6-phenylhexanoate
CID 12854251
tert-butyl N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(3S)-2-oxothietan-3-yl]amino]-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]carbamate
CID 56602499
(2S)-2-[3-(oxan-4-yl)propanoylamino]-3-phenylpropanoic acid
CID 119366510
benzyl 2-[(3S)-3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2,6-dioxopiperidin-1-yl]acetate
CID 46192464
methyl 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate
CID 5487372

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate?
The IUPAC name of methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate (CID 10833350) is methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate.
What is the SMILES notation for methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate?
The canonical SMILES for methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate is COC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1COCCC1=O.
What is the InChIKey of methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate?
The InChIKey is KDFWMMNLWNZMIR-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-26-18(24)8-7-17(23)20-14(11-13-5-3-2-4-6-13)19(25)21-15-12-27-10-9-16(15)22/h2-6,14-15H,7-12H2,1H3,(H,20,23)(H,21,25)/t14-,15+/m0/s1.
What are the key properties of methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate?
methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate has a molecular weight of 376.41 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(3R)-4-oxooxan-3-yl]amino]-3-phenylpropan-2-yl]amino]butanoate is sourced from PubChem (CID 10833350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).