methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate

C14H20N2O4 — CID 11312025

IUPACmethyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@H](CN(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O4/c1-16(2)9-12(13(17)19-3)15-14(18)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyKXWNLJASHMCOEG-LBPRGKRZSA-N
MW280.32 g/mol
LogP1.02
Rot. Bonds6

About methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate

methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 11312025) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID11312025
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@H](CN(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O4/c1-16(2)9-12(13(17)19-3)15-14(18)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyKXWNLJASHMCOEG-LBPRGKRZSA-N
XLogP1.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 11747521
methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530
methyl (2R)-3-(chloroamino)-2-(phenylmethoxycarbonylamino)propanoate
CID 89131387
CID 10887775
CID 10887775
4-[methoxy(methyl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 22134570
benzyl N-[(2S)-4-amino-1-(dimethylamino)-1,4-dioxobutan-2-yl]carbamate
CID 102329953
methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
CID 12990920
methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate
CID 66909168
methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]-2-(phenylmethoxycarbonylamino)propanoate
CID 70111006
methyl (2S)-3-[(2-aminoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate
CID 57007906

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate (CID 11312025) is methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate is COC(=O)[C@H](CN(C)C)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is KXWNLJASHMCOEG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-16(2)9-12(13(17)19-3)15-14(18)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,18)/t12-/m0/s1.
What are the key properties of methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate?
methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 280.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 11312025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).