(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

C11H21NO4 — CID 637604

IUPAC(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKeyMDXGYYOJGPFFJL-MRVPVSSYSA-N
MW231.29 g/mol
LogP2.01
Rot. Bonds4

About (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 637604) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID637604
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKeyMDXGYYOJGPFFJL-MRVPVSSYSA-N
XLogP2.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 637604) is (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is MDXGYYOJGPFFJL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 637604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).