1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C14H24N2O4 — CID 116520999

IUPAC1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC1(C)CCC(CNC(=O)NC2(C(=O)O)CCCC2)O1
InChIInChI=1S/C14H24N2O4/c1-13(2)8-5-10(20-13)9-15-12(19)16-14(11(17)18)6-3-4-7-14/h10H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyBOWXEAQGOXUFMQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.64
Rot. Bonds4

About 1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 116520999) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID116520999
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC1(C)CCC(CNC(=O)NC2(C(=O)O)CCCC2)O1
InChIInChI=1S/C14H24N2O4/c1-13(2)8-5-10(20-13)9-15-12(19)16-14(11(17)18)6-3-4-7-14/h10H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyBOWXEAQGOXUFMQ-UHFFFAOYSA-N
XLogP1.64
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 116522769
1-(oxan-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162688
1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162661
1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 113464039
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide
CID 164646624
1-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61206220
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81155836
1-[(1,1-dioxothiolan-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 81043035
1-[(3-methylcyclopentyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 107414521
4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292855
3-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010962
1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162898

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 116520999) is 1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is CC1(C)CCC(CNC(=O)NC2(C(=O)O)CCCC2)O1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is BOWXEAQGOXUFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2)8-5-10(20-13)9-15-12(19)16-14(11(17)18)6-3-4-7-14/h10H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 116520999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).