methyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate

C10H20N2O4 — CID 131977674

IUPACmethyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate
SMILESCCC(C)(C)OC(=O)NC[C@H](N)C(=O)OC
InChIInChI=1S/C10H20N2O4/c1-5-10(2,3)16-9(14)12-6-7(11)8(13)15-4/h7H,5-6,11H2,1-4H3,(H,12,14)/t7-/m0/s1
InChIKeyJRNZIMUBVAXRQL-ZETCQYMHSA-N
MW232.28 g/mol
LogP0.40
Rot. Bonds5

About methyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate

methyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate (PubChem CID 131977674) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate
PubChem CID131977674
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Namemethyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate
SMILESCCC(C)(C)OC(=O)NC[C@H](N)C(=O)OC
InChIInChI=1S/C10H20N2O4/c1-5-10(2,3)16-9(14)12-6-7(11)8(13)15-4/h7H,5-6,11H2,1-4H3,(H,12,14)/t7-/m0/s1
InChIKeyJRNZIMUBVAXRQL-ZETCQYMHSA-N
XLogP0.40
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate
CID 170234011
methyl 2-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 75525942
methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate
CID 90076099
bis(2-methylbutan-2-yl) 2-aminopropanedioate
CID 141226339
methyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 103493270
butoxycarbonyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 54230347
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
methoxycarbonyl 2-methylbutan-2-yl carbonate
CID 170252146
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
CID 87428615
methyl 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 170380400
methyl (2S,3R)-2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 130935701

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate?
The IUPAC name of methyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate (CID 131977674) is methyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate is CCC(C)(C)OC(=O)NC[C@H](N)C(=O)OC.
What is the InChIKey of methyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate?
The InChIKey is JRNZIMUBVAXRQL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-5-10(2,3)16-9(14)12-6-7(11)8(13)15-4/h7H,5-6,11H2,1-4H3,(H,12,14)/t7-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate?
methyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate has a molecular weight of 232.28 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate is sourced from PubChem (CID 131977674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).