methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C10H19NO4 — CID 15228381

IUPACmethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCOC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-7(8(12)14-6)11(5)9(13)15-10(2,3)4/h7H,1-6H3/t7-/m0/s1
InChIKeyWAXXSDTVMDEILX-ZETCQYMHSA-N
MW217.26 g/mol
LogP1.41
Rot. Bonds2

About methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 15228381) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID15228381
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCOC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-7(8(12)14-6)11(5)9(13)15-10(2,3)4/h7H,1-6H3/t7-/m0/s1
InChIKeyWAXXSDTVMDEILX-ZETCQYMHSA-N
XLogP1.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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

2-(((Tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 4436857
(2S)-2-(((tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 7009590
2-{[(Tert-butoxy)carbonyl](propan-2-yl)amino}acetic acid
CID 10465935
1-Tert-butyl 2-methyl aziridine-1,2-dicarboxylate
CID 11171653
2-{[(Tert-butoxy)carbonyl](ethyl)amino}propanoic acid
CID 20271889
(R)-Aziridine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
CID 27282454
2-{[(Tert-butoxy)carbonyl](2-methoxyethyl)amino}acetic acid
CID 54593434
2-{[(Tert-butoxy)carbonyl](propyl)amino}propanoic acid
CID 64145887
2-{[(Tert-butoxy)carbonyl](2-methoxy-2-oxoethyl)amino}acetic acid
CID 87566391
Methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate
CID 545713
Boc-L-alanine methyl ester
CID 10856577
Methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
CID 14018930

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 15228381) is methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is COC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is WAXXSDTVMDEILX-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(8(12)14-6)11(5)9(13)15-10(2,3)4/h7H,1-6H3/t7-/m0/s1.
What are the key properties of methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 217.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 15228381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).