(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C13H24N2O6 — CID 18631841

IUPAC(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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)/t8-/m1/s1
InChIKeyUDZLUXXCXDIIOK-MRVPVSSYSA-N
MW304.34 g/mol
LogP1.49
Rot. Bonds4

About (2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 18631841) has the molecular formula C13H24N2O6 and a molecular weight of 304.34 g/mol. Its IUPAC name is (2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID18631841
Molecular FormulaC13H24N2O6
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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)/t8-/m1/s1
InChIKeyUDZLUXXCXDIIOK-MRVPVSSYSA-N
XLogP1.49
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[[(2S)-2-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 171378142
(2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7015749
ethane;(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 158437158
(2R)-3-(2-hydroxyethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 34175663
(2S)-3-[(2-methylpropan-2-yl)oxyamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 139885589
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(pentylcarbamoylamino)propanoic acid
CID 59855908
(2S)-3-[(4-methylbenzoyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 59855878
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
(2S)-3-[[(2S)-2,4-dihydroxybutanoyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 166937037
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7020984
(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 7021114
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(octadecanoylamino)propanoic acid
CID 175560019

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of (2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 18631841) is (2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for (2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for (2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is UDZLUXXCXDIIOK-MRVPVSSYSA-N. 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)/t8-/m1/s1.
What are the key properties of (2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 304.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 18631841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).