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

C14H20N2O4 — CID 61424074

IUPAC1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1occc1CN(C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H20N2O4/c1-10-11(5-8-20-10)9-16(2)13(19)15-14(12(17)18)6-3-4-7-14/h5,8H,3-4,6-7,9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVJXIPZIRLOGOKV-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.13
Rot. Bonds4

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

1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 61424074) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID61424074
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1occc1CN(C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H20N2O4/c1-10-11(5-8-20-10)9-16(2)13(19)15-14(12(17)18)6-3-4-7-14/h5,8H,3-4,6-7,9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVJXIPZIRLOGOKV-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197524
1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163076
3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 47385742
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 55055654
2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815743
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 104678002
3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 63136798
1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 79379384
4-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]butanoic acid
CID 61423925
2-bromo-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 61426211
2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 61426214
ethyl 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]acetate
CID 47377436

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 61424074) is 1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid is Cc1occc1CN(C)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is VJXIPZIRLOGOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-11(5-8-20-10)9-16(2)13(19)15-14(12(17)18)6-3-4-7-14/h5,8H,3-4,6-7,9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid?
1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61424074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).