4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid

C15H26N2O4 — CID 107420020

IUPAC4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid
SMILESCC1CCCC1CNC(=O)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H26N2O4/c1-11-3-2-4-12(11)9-16-14(20)17-10-15(13(18)19)5-7-21-8-6-15/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyXEKHYHHNRAAUSN-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.60
Rot. Bonds5

About 4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid

4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid (PubChem CID 107420020) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid
PubChem CID107420020
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid
SMILESCC1CCCC1CNC(=O)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H26N2O4/c1-11-3-2-4-12(11)9-16-14(20)17-10-15(13(18)19)5-7-21-8-6-15/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyXEKHYHHNRAAUSN-UHFFFAOYSA-N
XLogP1.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 107420021
1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 107419976
1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111438461
1-[(oxan-4-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436924
4-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440569
4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440584
1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451238
4-[(2,2-dimethylpropylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440388
1-[(2-methylcyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096800
4-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]oxane-4-carboxylic acid
CID 113310291
1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309357
4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid
CID 115438442

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid (CID 107420020) is 4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid is CC1CCCC1CNC(=O)NCC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid?
The InChIKey is XEKHYHHNRAAUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11-3-2-4-12(11)9-16-14(20)17-10-15(13(18)19)5-7-21-8-6-15/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid?
4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 107420020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).