(2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid

C13H17N3O5 — CID 107841591

IUPAC(2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid
SMILESCc1cncc(NC(=O)N[C@H](CCCC(=O)O)C(=O)O)c1
InChIInChI=1S/C13H17N3O5/c1-8-5-9(7-14-6-8)15-13(21)16-10(12(19)20)3-2-4-11(17)18/h5-7,10H,2-4H2,1H3,(H,17,18)(H,19,20)(H2,15,16,21)/t10-/m1/s1
InChIKeySLZLRDNCVHIITC-SNVBAGLBSA-N
MW295.29 g/mol
LogP1.22
Rot. Bonds7

About (2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid

(2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid (PubChem CID 107841591) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is (2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid
PubChem CID107841591
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name(2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid
SMILESCc1cncc(NC(=O)N[C@H](CCCC(=O)O)C(=O)O)c1
InChIInChI=1S/C13H17N3O5/c1-8-5-9(7-14-6-8)15-13(21)16-10(12(19)20)3-2-4-11(17)18/h5-7,10H,2-4H2,1H3,(H,17,18)(H,19,20)(H2,15,16,21)/t10-/m1/s1
InChIKeySLZLRDNCVHIITC-SNVBAGLBSA-N
XLogP1.22
TPSA128.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107265712
(2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid
CID 107586158
(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]pentanedioic acid
CID 61191038
(2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid
CID 114007193
(2R)-2-[(3-bromophenyl)carbamoylamino]hexanedioic acid
CID 107838137
4,4-dimethyl-3-[(5-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 107586010
(2S)-2-(pyrimidin-5-ylcarbamoylamino)hexanoic acid
CID 107589159
2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid
CID 107265694
2-[(4-bromophenyl)carbamoylamino]octanedioic acid
CID 91541031
(2S)-2-[(5-bromo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid
CID 114222532
2-[(3,4-dimethylphenyl)carbamoylamino]pentanedioic acid
CID 61189965
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid?
The IUPAC name of (2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid (CID 107841591) is (2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid?
The canonical SMILES for (2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid is Cc1cncc(NC(=O)N[C@H](CCCC(=O)O)C(=O)O)c1.
What is the InChIKey of (2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid?
The InChIKey is SLZLRDNCVHIITC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-8-5-9(7-14-6-8)15-13(21)16-10(12(19)20)3-2-4-11(17)18/h5-7,10H,2-4H2,1H3,(H,17,18)(H,19,20)(H2,15,16,21)/t10-/m1/s1.
What are the key properties of (2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid?
(2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid has a molecular weight of 295.29 g/mol, XLogP of 1.22, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid is sourced from PubChem (CID 107841591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).