(2R,4R)-2-amino-4-methylpentanedioic acid

C6H11NO4 — CID 2733522

IUPAC(2R,4R)-2-amino-4-methylpentanedioic acid
SMILESC[C@H](C[C@@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1
InChIKeyKRKRAOXTGDJWNI-QWWZWVQMSA-N
MW161.16 g/mol
LogP-0.49
Rot. Bonds4

About (2R,4R)-2-amino-4-methylpentanedioic acid

(2R,4R)-2-amino-4-methylpentanedioic acid (PubChem CID 2733522) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2R,4R)-2-amino-4-methylpentanedioic acid.

Molecular Properties

Compound Name(2R,4R)-2-amino-4-methylpentanedioic acid
PubChem CID2733522
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(2R,4R)-2-amino-4-methylpentanedioic acid
SMILESC[C@H](C[C@@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1
InChIKeyKRKRAOXTGDJWNI-QWWZWVQMSA-N
XLogP-0.49
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

L-Leucine
CID 6106
L-Glutamic Acid
CID 33032
D-Leucine
CID 439524
D-Glutamic Acid
CID 23327
Glutamic Acid Hydrochloride
CID 2723891
DL-Glutamic acid
CID 611
Monosodium Glutamate
CID 23689119
Sodium Glutamate
CID 23672308
Monopotassium glutamate
CID 23695977
DL-leucine
CID 857
2S,4R-4-Methylglutamate
CID 95883
1-Amino-1,3-cyclobutanedicarboxylic acid
CID 1214

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-amino-4-methylpentanedioic acid?
The IUPAC name of (2R,4R)-2-amino-4-methylpentanedioic acid (CID 2733522) is (2R,4R)-2-amino-4-methylpentanedioic acid.
What is the SMILES notation for (2R,4R)-2-amino-4-methylpentanedioic acid?
The canonical SMILES for (2R,4R)-2-amino-4-methylpentanedioic acid is C[C@H](C[C@@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2R,4R)-2-amino-4-methylpentanedioic acid?
The InChIKey is KRKRAOXTGDJWNI-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1.
What are the key properties of (2R,4R)-2-amino-4-methylpentanedioic acid?
(2R,4R)-2-amino-4-methylpentanedioic acid has a molecular weight of 161.16 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-amino-4-methylpentanedioic acid is sourced from PubChem (CID 2733522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).