(2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid

C12H15N3O5 — CID 107835532

IUPAC(2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid
SMILESNc1cccnc1C(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C12H15N3O5/c13-7-3-2-6-14-10(7)11(18)15-8(12(19)20)4-1-5-9(16)17/h2-3,6,8H,1,4-5,13H2,(H,15,18)(H,16,17)(H,19,20)/t8-/m1/s1
InChIKeyOLHBFOGLLXJTGA-MRVPVSSYSA-N
MW281.27 g/mol
LogP0.10
Rot. Bonds7

About (2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid

(2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid (PubChem CID 107835532) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is (2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid
PubChem CID107835532
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name(2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid
SMILESNc1cccnc1C(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C12H15N3O5/c13-7-3-2-6-14-10(7)11(18)15-8(12(19)20)4-1-5-9(16)17/h2-3,6,8H,1,4-5,13H2,(H,15,18)(H,16,17)(H,19,20)/t8-/m1/s1
InChIKeyOLHBFOGLLXJTGA-MRVPVSSYSA-N
XLogP0.10
TPSA142.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104741912
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104741915
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid
CID 104742756
4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid
CID 61243452
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 104741916
3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid
CID 104742758
2-[(3-hydroxypyridine-2-carbonyl)amino]pentanoic acid
CID 54860839
3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid
CID 113447809
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid
CID 104741920
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate
CID 104741240
(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 107563704

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid?
The IUPAC name of (2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid (CID 107835532) is (2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid is Nc1cccnc1C(=O)N[C@H](CCCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid?
The InChIKey is OLHBFOGLLXJTGA-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N3O5/c13-7-3-2-6-14-10(7)11(18)15-8(12(19)20)4-1-5-9(16)17/h2-3,6,8H,1,4-5,13H2,(H,15,18)(H,16,17)(H,19,20)/t8-/m1/s1.
What are the key properties of (2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid?
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid has a molecular weight of 281.27 g/mol, XLogP of 0.10, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid is sourced from PubChem (CID 107835532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).