(2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C13H23N2O6- — CID 7015749

IUPAC(2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)(C)OC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]
InChIInChI=1S/C13H24N2O6/c1-12(2,3)20-10(18)14-7-8(9(16)17)15-11(19)21-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,15,19)(H,16,17)/p-1/t8-/m0/s1
InChIKeyUDZLUXXCXDIIOK-QMMMGPOBSA-M
MW303.34 g/mol
LogP0.15
Rot. Bonds4

About (2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

(2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 7015749) has the molecular formula C13H23N2O6- and a molecular weight of 303.34 g/mol. Its IUPAC name is (2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name(2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID7015749
Molecular FormulaC13H23N2O6-
Molecular Weight303.34 g/mol
Exact Mass303.16
IUPAC Name(2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)(C)OC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]
InChIInChI=1S/C13H24N2O6/c1-12(2,3)20-10(18)14-7-8(9(16)17)15-11(19)21-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,15,19)(H,16,17)/p-1/t8-/m0/s1
InChIKeyUDZLUXXCXDIIOK-QMMMGPOBSA-M
XLogP0.15
TPSA116.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 18631841
2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 22352296
lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate
CID 156723013
(2S)-3-(methylazaniumyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 34175460
disodium;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 102136496
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 638722
(2S)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7019872
(2R)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoate
CID 51777226
ethane;(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 158437158
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
methyl (2S,5S)-5-hydroxy-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 101344037

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of (2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 7015749) is (2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for (2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for (2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CC(C)(C)OC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-].
What is the InChIKey of (2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is UDZLUXXCXDIIOK-QMMMGPOBSA-M. The full InChI is InChI=1S/C13H24N2O6/c1-12(2,3)20-10(18)14-7-8(9(16)17)15-11(19)21-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,15,19)(H,16,17)/p-1/t8-/m0/s1.
What are the key properties of (2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
(2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 303.34 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 7015749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).