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

C14H19N3O4 — CID 115446789

IUPAC1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCOc1cc(CNC(=O)NCC2(C(=O)O)CCC2)ccn1
InChIInChI=1S/C14H19N3O4/c1-21-11-7-10(3-6-15-11)8-16-13(20)17-9-14(12(18)19)4-2-5-14/h3,6-7H,2,4-5,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyBHVADNBEQCEPBL-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.14
Rot. Bonds6

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

1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115446789) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115446789
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCOc1cc(CNC(=O)NCC2(C(=O)O)CCC2)ccn1
InChIInChI=1S/C14H19N3O4/c1-21-11-7-10(3-6-15-11)8-16-13(20)17-9-14(12(18)19)4-2-5-14/h3,6-7H,2,4-5,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyBHVADNBEQCEPBL-UHFFFAOYSA-N
XLogP1.14
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

Analyze 1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 55142287
2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid
CID 79463849
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815599
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
2-(1-aminocyclohexyl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 64677041
2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
CID 55140170
1-[(2-methoxy-4-pyridinyl)methyl]-3-(4-phenylbutan-2-yl)urea
CID 42891763
1-(3-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032224
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]oxane-4-carboxamide
CID 62993317
1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 62991256

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid (CID 115446789) is 1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid is COc1cc(CNC(=O)NCC2(C(=O)O)CCC2)ccn1.
What is the InChIKey of 1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is BHVADNBEQCEPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-11-7-10(3-6-15-11)8-16-13(20)17-9-14(12(18)19)4-2-5-14/h3,6-7H,2,4-5,8-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115446789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).