2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid

C14H20N2O4 — CID 64815743

IUPAC2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1occc1CN(C)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-9-10(6-7-20-9)8-16(2)14(19)15-12-5-3-4-11(12)13(17)18/h6-7,11-12H,3-5,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyJYWCQEZSVWYQGM-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.98
Rot. Bonds4

About 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid

2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64815743) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64815743
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1occc1CN(C)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-9-10(6-7-20-9)8-16(2)14(19)15-12-5-3-4-11(12)13(17)18/h6-7,11-12H,3-5,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyJYWCQEZSVWYQGM-UHFFFAOYSA-N
XLogP1.98
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 47385742
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817499
2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817880
2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815512
1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61424074
3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
CID 61424514
(2S)-4-hydroxy-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61423779
2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 79864609
2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64816735
3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
CID 61423971
3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea
CID 47508994
2,2-dimethyl-3-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64834672

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 64815743) is 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid is Cc1occc1CN(C)C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is JYWCQEZSVWYQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-10(6-7-20-9)8-16(2)14(19)15-12-5-3-4-11(12)13(17)18/h6-7,11-12H,3-5,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid?
2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).