1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid

C12H22N2O4 — CID 79379384

IUPAC1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CC(C)(C)O)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22N2O4/c1-11(2,18)8-14(3)10(17)13-12(9(15)16)6-4-5-7-12/h18H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyTVMCUJNDWLRRPD-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.80
Rot. Bonds4

About 1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid

1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 79379384) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID79379384
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CC(C)(C)O)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22N2O4/c1-11(2,18)8-14(3)10(17)13-12(9(15)16)6-4-5-7-12/h18H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyTVMCUJNDWLRRPD-UHFFFAOYSA-N
XLogP0.80
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid
CID 115293279
1-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55227355
1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61196038
1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197210
1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81162794
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61443760
1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55002384
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61443714
1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61424074
1-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 113426147
1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197524
1-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202704

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid (CID 79379384) is 1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid is CN(CC(C)(C)O)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is TVMCUJNDWLRRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-11(2,18)8-14(3)10(17)13-12(9(15)16)6-4-5-7-12/h18H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79379384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).