(3R)-2-amino-3-methylpentanedioic acid

C6H11NO4 — CID 90857110

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

About (3R)-2-amino-3-methylpentanedioic acid

(3R)-2-amino-3-methylpentanedioic acid (PubChem CID 90857110) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (3R)-2-amino-3-methylpentanedioic acid.

Molecular Properties

Compound Name(3R)-2-amino-3-methylpentanedioic acid
PubChem CID90857110
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(3R)-2-amino-3-methylpentanedioic acid
SMILESC[C@H](CC(=O)O)C(N)C(=O)O
InChIInChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5?/m1/s1
InChIKeyFHJNAFIJPFGZRI-VXPOTGITSA-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

(2R,3S)-2-amino-3-methylpentanedioic acid
CID 6604760
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832
4-amino-3,5-dimethylhexanoic acid
CID 102537839
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
(2S)-2-amino-3,5-dimethylhexanoic acid
CID 130519483
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
(2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride
CID 88817643
2-aminoacetic acid;(2R)-2-amino-3-methylpentanoic acid
CID 87257190

Frequently Asked Questions

What is the IUPAC name of (3R)-2-amino-3-methylpentanedioic acid?
The IUPAC name of (3R)-2-amino-3-methylpentanedioic acid (CID 90857110) is (3R)-2-amino-3-methylpentanedioic acid.
What is the SMILES notation for (3R)-2-amino-3-methylpentanedioic acid?
The canonical SMILES for (3R)-2-amino-3-methylpentanedioic acid is C[C@H](CC(=O)O)C(N)C(=O)O.
What is the InChIKey of (3R)-2-amino-3-methylpentanedioic acid?
The InChIKey is FHJNAFIJPFGZRI-VXPOTGITSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5?/m1/s1.
What are the key properties of (3R)-2-amino-3-methylpentanedioic acid?
(3R)-2-amino-3-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 (3R)-2-amino-3-methylpentanedioic acid is sourced from PubChem (CID 90857110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).