(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid

C10H17NO6 — CID 7019046

IUPAC(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid
SMILESCC(C)(C)OC(=O)N[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C10H17NO6/c1-10(2,3)17-9(16)11-6(8(14)15)4-5-7(12)13/h6H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)/t6-/m1/s1
InChIKeyAQTUACKQXJNHFQ-ZCFIWIBFSA-N
MW247.25 g/mol
LogP0.83
Rot. Bonds5

About (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid

(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid (PubChem CID 7019046) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid
PubChem CID7019046
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid
SMILESCC(C)(C)OC(=O)N[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C10H17NO6/c1-10(2,3)17-9(16)11-6(8(14)15)4-5-7(12)13/h6H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)/t6-/m1/s1
InChIKeyAQTUACKQXJNHFQ-ZCFIWIBFSA-N
XLogP0.83
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid?
The IUPAC name of (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid (CID 7019046) is (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid.
What is the SMILES notation for (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid?
The canonical SMILES for (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid is CC(C)(C)OC(=O)N[C@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid?
The InChIKey is AQTUACKQXJNHFQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H17NO6/c1-10(2,3)17-9(16)11-6(8(14)15)4-5-7(12)13/h6H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid?
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid has a molecular weight of 247.25 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid is sourced from PubChem (CID 7019046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).