2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid

C15H21N3O3 — CID 107341108

IUPAC2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid
SMILESCC1CCCC(N)(C(=O)Nc2ccc(CC(=O)O)nc2)C1
InChIInChI=1S/C15H21N3O3/c1-10-3-2-6-15(16,8-10)14(21)18-12-5-4-11(17-9-12)7-13(19)20/h4-5,9-10H,2-3,6-8,16H2,1H3,(H,18,21)(H,19,20)
InChIKeyYYFVEWOXOGYJFG-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.55
Rot. Bonds4

About 2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid

2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107341108) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid
PubChem CID107341108
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid
SMILESCC1CCCC(N)(C(=O)Nc2ccc(CC(=O)O)nc2)C1
InChIInChI=1S/C15H21N3O3/c1-10-3-2-6-15(16,8-10)14(21)18-12-5-4-11(17-9-12)7-13(19)20/h4-5,9-10H,2-3,6-8,16H2,1H3,(H,18,21)(H,19,20)
InChIKeyYYFVEWOXOGYJFG-UHFFFAOYSA-N
XLogP1.55
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid (CID 107341108) is 2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid is CC1CCCC(N)(C(=O)Nc2ccc(CC(=O)O)nc2)C1.
What is the InChIKey of 2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is YYFVEWOXOGYJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-3-2-6-15(16,8-10)14(21)18-12-5-4-11(17-9-12)7-13(19)20/h4-5,9-10H,2-3,6-8,16H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107341108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).