methyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C10H19NO4 — CID 10703981

IUPACmethyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)[C@H](C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-7(8(12)14-5)6-11-9(13)15-10(2,3)4/h7H,6H2,1-5H3,(H,11,13)/t7-/m1/s1
InChIKeyJZHNQALXNGWKCG-SSDOTTSWSA-N
MW217.26 g/mol
LogP1.32
Rot. Bonds3

About methyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

methyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 10703981) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID10703981
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)[C@H](C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-7(8(12)14-5)6-11-9(13)15-10(2,3)4/h7H,6H2,1-5H3,(H,11,13)/t7-/m1/s1
InChIKeyJZHNQALXNGWKCG-SSDOTTSWSA-N
XLogP1.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]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

N-((1,1-dimethylethoxy)carbonyl)-beta-alanine
CID 76809
3-{[(Tert-butoxy)carbonyl]amino}-2,2-dimethylpropanoic acid
CID 11790631
(2S)-3-(((tert-butoxy)carbonyl)amino)-2-methylpropanoic acid
CID 12042484
3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid
CID 4192640
Methyl 3-(((tert-butoxy)carbonyl)amino)propanoate
CID 11687095
tert-butyl N-(3-oxobutyl)carbamate
CID 12111481
Butanoicacid, 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, (2R)-
CID 12155293
Ethyl 3-{[(tert-butoxy)carbonyl]amino}propanoate
CID 15933116
(2S)-2-((((tert-butoxy)carbonyl)amino)methyl)butanoic acid
CID 51340352
tert-butyl N-(2-methyl-3-oxopropyl)carbamate
CID 19791000
3-{[(Tert-butoxy)carbonyl]amino}-2-({[(tert-butoxy)carbonyl]amino}methyl)propanoic acid
CID 22251382
Carbamic acid, (3-amino-2-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester
CID 23446090

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 10703981) is methyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)[C@H](C)CNC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is JZHNQALXNGWKCG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(8(12)14-5)6-11-9(13)15-10(2,3)4/h7H,6H2,1-5H3,(H,11,13)/t7-/m1/s1.
What are the key properties of methyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
methyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 217.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 10703981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).