(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

C11H21NO4 — CID 2761559

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

About (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 2761559) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID2761559
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)[C@@H](CC(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-7(2)8(6-9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKeyLUXMZCJCTUATDM-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 (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 2761559) is (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CC(C)[C@@H](CC(=O)O)NC(=O)OC(C)(C)C.
What is the InChIKey of (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is LUXMZCJCTUATDM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7(2)8(6-9(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 (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
(3R)-4-methyl-3-[(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 (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 2761559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).