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

C9H17NO4 — CID 11041840

IUPAC(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESC[C@H](CNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-6(7(11)12)5-10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1
InChIKeyGDQRNRYMFXDGMS-ZCFIWIBFSA-N
MW203.24 g/mol
LogP1.23
Rot. Bonds3

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

(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 11041840) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID11041840
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESC[C@H](CNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-6(7(11)12)5-10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1
InChIKeyGDQRNRYMFXDGMS-ZCFIWIBFSA-N
XLogP1.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 11041840) is (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is C[C@H](CNC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is GDQRNRYMFXDGMS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(7(11)12)5-10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 203.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 11041840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).