2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid

C14H24N2O4 — CID 82742597

IUPAC2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid
SMILESCN(C(=O)NC1CCCCCC1C(=O)O)C1CCOC1
InChIInChI=1S/C14H24N2O4/c1-16(10-7-8-20-9-10)14(19)15-12-6-4-2-3-5-11(12)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeySMEZJNBDOLKKPW-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds3

About 2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid

2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid (PubChem CID 82742597) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid
PubChem CID82742597
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid
SMILESCN(C(=O)NC1CCCCCC1C(=O)O)C1CCOC1
InChIInChI=1S/C14H24N2O4/c1-16(10-7-8-20-9-10)14(19)15-12-6-4-2-3-5-11(12)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeySMEZJNBDOLKKPW-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopentyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816118
2-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815725
2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 82732714
2-amino-N-methyl-N-(oxolan-3-yl)cycloheptane-1-carboxamide
CID 82738125
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760727
3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea
CID 115695106
2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82742753
1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760744
(2S)-3-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]butanoic acid
CID 82742598
2-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82748744
4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61203490

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid (CID 82742597) is 2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid is CN(C(=O)NC1CCCCCC1C(=O)O)C1CCOC1.
What is the InChIKey of 2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid?
The InChIKey is SMEZJNBDOLKKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-16(10-7-8-20-9-10)14(19)15-12-6-4-2-3-5-11(12)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid?
2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 82742597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).