2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C14H19N3O4 — CID 64815599

IUPAC2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(CNC(=O)NC2CCCC2C(=O)O)ccn1
InChIInChI=1S/C14H19N3O4/c1-21-12-7-9(5-6-15-12)8-16-14(20)17-11-4-2-3-10(11)13(18)19/h5-7,10-11H,2-4,8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyPKPODTKUUGWHRT-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.14
Rot. Bonds5

About 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64815599) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64815599
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(CNC(=O)NC2CCCC2C(=O)O)ccn1
InChIInChI=1S/C14H19N3O4/c1-21-12-7-9(5-6-15-12)8-16-14(20)17-11-4-2-3-10(11)13(18)19/h5-7,10-11H,2-4,8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyPKPODTKUUGWHRT-UHFFFAOYSA-N
XLogP1.14
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817088
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea
CID 168892641
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446789
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 87003445
1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 43061406
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64763111
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 55142287
4-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122002138
2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815795
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 64815599) is 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is COc1cc(CNC(=O)NC2CCCC2C(=O)O)ccn1.
What is the InChIKey of 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is PKPODTKUUGWHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-12-7-9(5-6-15-12)8-16-14(20)17-11-4-2-3-10(11)13(18)19/h5-7,10-11H,2-4,8H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).