5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid

C10H9NO6 — CID 100919095

IUPAC5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid
SMILESN[C@@H](C(=O)O)c1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C10H9NO6/c11-7(10(16)17)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyJGBJIZXSFPFDIJ-SSDOTTSWSA-N
MW239.18 g/mol
LogP0.17
Rot. Bonds4

About 5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid

5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid (PubChem CID 100919095) has the molecular formula C10H9NO6 and a molecular weight of 239.18 g/mol. Its IUPAC name is 5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid
PubChem CID100919095
Molecular FormulaC10H9NO6
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Name5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid
SMILESN[C@@H](C(=O)O)c1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C10H9NO6/c11-7(10(16)17)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyJGBJIZXSFPFDIJ-SSDOTTSWSA-N
XLogP0.17
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-[3,5-bis(methoxycarbonyl)phenyl]acetic acid
CID 66513431
azane;benzene-1,3,5-tricarboxylic acid
CID 172833509
benzene-1,3,5-tricarboxylic acid;europium
CID 172691407
benzene-1,3,5-tricarboxylic acid;vanadium
CID 166458102
tris(benzene-1,3,5-tricarboxylic acid);trihydrochloride
CID 66646410
(2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid
CID 130647675
2-amino-2-(4-amino-3,5-dimethylphenyl)acetic acid
CID 55297559
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
benzene;benzene-1,3,5-tricarboxylic acid;carbonic acid
CID 174275338
barium(2+);benzene-1,3,5-tricarboxylic acid;hydride
CID 174613622
benzene-1,3,5-tricarboxylic acid;cerium;thorium
CID 175461142

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid (CID 100919095) is 5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid is N[C@@H](C(=O)O)c1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of 5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid?
The InChIKey is JGBJIZXSFPFDIJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m1/s1.
What are the key properties of 5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid?
5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid has a molecular weight of 239.18 g/mol, XLogP of 0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-amino(carboxy)methyl]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 100919095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).