1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid

C14H24N2O3 — CID 113464039

IUPAC1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
SMILESCC1CC1CNC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H24N2O3/c1-10-8-11(10)9-15-13(19)16-14(12(17)18)6-4-2-3-5-7-14/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyOHAFFOSVZIDYDA-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.12
Rot. Bonds4

About 1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid

1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid (PubChem CID 113464039) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
PubChem CID113464039
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
SMILESCC1CC1CNC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H24N2O3/c1-10-8-11(10)9-15-13(19)16-14(12(17)18)6-4-2-3-5-7-14/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyOHAFFOSVZIDYDA-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylcyclopentyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 107414521
1-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61206220
1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162661
1-[(1,1-dioxothiolan-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 81043035
1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid
CID 61199319
1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 116520999
1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 24699063
1-[(1-methylsulfanylcyclopropyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 114116883
1-(2-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 62103455
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61299743
1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106279269
1-(2-cyclobutylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113364347

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid (CID 113464039) is 1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid is CC1CC1CNC(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid?
The InChIKey is OHAFFOSVZIDYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-8-11(10)9-15-13(19)16-14(12(17)18)6-4-2-3-5-7-14/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid?
1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 113464039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).