(2R)-2-[[(1S)-1-carboxy-2-methylpropyl]amino]pentanedioic acid

C10H17NO6 — CID 15284427

IUPAC(2R)-2-[[(1S)-1-carboxy-2-methylpropyl]amino]pentanedioic acid
SMILESCC(C)[C@H](N[C@H](CCC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C10H17NO6/c1-5(2)8(10(16)17)11-6(9(14)15)3-4-7(12)13/h5-6,8,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t6-,8+/m1/s1
InChIKeyOEZFTGUQNATVAL-SVRRBLITSA-N
MW247.25 g/mol
LogP0.00
Rot. Bonds8

About (2R)-2-[[(1S)-1-carboxy-2-methylpropyl]amino]pentanedioic acid

(2R)-2-[[(1S)-1-carboxy-2-methylpropyl]amino]pentanedioic acid (PubChem CID 15284427) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-carboxy-2-methylpropyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-carboxy-2-methylpropyl]amino]pentanedioic acid
PubChem CID15284427
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name(2R)-2-[[(1S)-1-carboxy-2-methylpropyl]amino]pentanedioic acid
SMILESCC(C)[C@H](N[C@H](CCC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C10H17NO6/c1-5(2)8(10(16)17)11-6(9(14)15)3-4-7(12)13/h5-6,8,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t6-,8+/m1/s1
InChIKeyOEZFTGUQNATVAL-SVRRBLITSA-N
XLogP0.00
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-carboxy-2-methylpropyl]amino]pentanedioic acid?
The IUPAC name of (2R)-2-[[(1S)-1-carboxy-2-methylpropyl]amino]pentanedioic acid (CID 15284427) is (2R)-2-[[(1S)-1-carboxy-2-methylpropyl]amino]pentanedioic acid.
What is the SMILES notation for (2R)-2-[[(1S)-1-carboxy-2-methylpropyl]amino]pentanedioic acid?
The canonical SMILES for (2R)-2-[[(1S)-1-carboxy-2-methylpropyl]amino]pentanedioic acid is CC(C)[C@H](N[C@H](CCC(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[[(1S)-1-carboxy-2-methylpropyl]amino]pentanedioic acid?
The InChIKey is OEZFTGUQNATVAL-SVRRBLITSA-N. The full InChI is InChI=1S/C10H17NO6/c1-5(2)8(10(16)17)11-6(9(14)15)3-4-7(12)13/h5-6,8,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t6-,8+/m1/s1.
What are the key properties of (2R)-2-[[(1S)-1-carboxy-2-methylpropyl]amino]pentanedioic acid?
(2R)-2-[[(1S)-1-carboxy-2-methylpropyl]amino]pentanedioic acid has a molecular weight of 247.25 g/mol, XLogP of 0.00, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-carboxy-2-methylpropyl]amino]pentanedioic acid is sourced from PubChem (CID 15284427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).