methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C10H20N2O4 — CID 76779344

IUPACmethyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCOC(=O)C(N)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-6(7(11)8(13)15-5)12-9(14)16-10(2,3)4/h6-7H,11H2,1-5H3,(H,12,14)
InChIKeyHRWXHXQUWPHLGG-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.40
Rot. Bonds3

About methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 76779344) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID76779344
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Namemethyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCOC(=O)C(N)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-6(7(11)8(13)15-5)12-9(14)16-10(2,3)4/h6-7H,11H2,1-5H3,(H,12,14)
InChIKeyHRWXHXQUWPHLGG-UHFFFAOYSA-N
XLogP0.40
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 89219629
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
methyl (2R,3R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 124652362
tert-butyl N-(3-amino-4,4,4-trifluorobutan-2-yl)carbamate
CID 130681792
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
methyl (3S,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 18607834
tert-butyl N-[(2S,3S)-4-amino-3-methyl-4-oxobutan-2-yl]carbamate
CID 130935417
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
CID 174039144
tert-butyl N-[(2S)-1-bromo-1-methoxypropan-2-yl]carbamate
CID 175914357
methyl (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 129247710
(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87381369
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 122505376

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 76779344) is methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is COC(=O)C(N)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is HRWXHXQUWPHLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-6(7(11)8(13)15-5)12-9(14)16-10(2,3)4/h6-7H,11H2,1-5H3,(H,12,14).
What are the key properties of methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 232.28 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 76779344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).