4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid

C12H20N2O4 — CID 114390822

IUPAC4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCNC(=O)C(C)NC(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-6-4-8(9(5-6)12(17)18)11(16)14-7(2)10(15)13-3/h6-9H,4-5H2,1-3H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyFWBYRQGKZJPGBG-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.02
Rot. Bonds4

About 4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid

4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114390822) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114390822
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCNC(=O)C(C)NC(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-6-4-8(9(5-6)12(17)18)11(16)14-7(2)10(15)13-3/h6-9H,4-5H2,1-3H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyFWBYRQGKZJPGBG-UHFFFAOYSA-N
XLogP-0.02
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-3-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-hexadecanoic acid
CID 44302022
(R)-3-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-octadecanoic acid
CID 44302043
(R)-3-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-undecanoic acid
CID 44302327
(R)-3-((S)-1-Dimethylcarbamoyl-2,2-dimethyl-propylcarbamoyl)-heptanoic acid
CID 44345896
Trans-2-(Hydroxycarbamoylmethyl-methyl-carbamoyl)-cyclopentanecarboxylic acid
CID 19906617
(R)-3-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-nonadecanoic acid
CID 10073353
(R)-3-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-heptadecanoic acid
CID 44302044
3-[[1-(Dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]heptanoic acid
CID 49823394
(1S,2S)-2-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-butylcarbamoyl)-2-carboxy-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl}-cyclopentanecarboxylic acid
CID 493893
(1R,2R)-2-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-butylcarbamoyl)-2-carboxy-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl}-cyclopentanecarboxylic acid
CID 493894
(1S,2S)-2-{(S)-1-[(S)-2-Carboxy-1-((S)-1-ethylcarbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl}-cyclopentanecarboxylic acid
CID 493895
(1R,2R)-2-{(S)-1-[(S)-2-Carboxy-1-((S)-1-ethylcarbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl}-cyclopentanecarboxylic acid
CID 493896

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid (CID 114390822) is 4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid is CNC(=O)C(C)NC(=O)C1CC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is FWBYRQGKZJPGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-6-4-8(9(5-6)12(17)18)11(16)14-7(2)10(15)13-3/h6-9H,4-5H2,1-3H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).