2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid

C14H24N2O5 — CID 63999990

IUPAC2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid
SMILESCC1CCC(NC(=O)NC(CCC(=O)O)C(=O)O)C(C)C1
InChIInChI=1S/C14H24N2O5/c1-8-3-4-10(9(2)7-8)15-14(21)16-11(13(19)20)5-6-12(17)18/h8-11H,3-7H2,1-2H3,(H,17,18)(H,19,20)(H2,15,16,21)
InChIKeyHYRNERVHPBCNSM-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.43
Rot. Bonds6

About 2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid

2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid (PubChem CID 63999990) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid
PubChem CID63999990
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid
SMILESCC1CCC(NC(=O)NC(CCC(=O)O)C(=O)O)C(C)C1
InChIInChI=1S/C14H24N2O5/c1-8-3-4-10(9(2)7-8)15-14(21)16-11(13(19)20)5-6-12(17)18/h8-11H,3-7H2,1-2H3,(H,17,18)(H,19,20)(H2,15,16,21)
InChIKeyHYRNERVHPBCNSM-UHFFFAOYSA-N
XLogP1.43
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827924
(2S)-4-amino-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-oxobutanoic acid
CID 63998195
2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid
CID 62088265
(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 107566972
(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 104937664
(2S)-2-(1-azabicyclo[2.2.2]octan-3-ylcarbamoylamino)pentanedioic acid
CID 61189674
(2S)-2-(piperidin-4-ylcarbamoylamino)pentanedioic acid
CID 61402901
1-(2,4-dimethylcyclohexyl)-3-ethylurea
CID 115626414
(2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid
CID 64743340
2-[(1-methylpiperidin-4-yl)carbamoylamino]pentanedioic acid
CID 61198418
1-(2,4-dimethylcyclohexyl)-3-(1-hydroxybutan-2-yl)urea
CID 111123431
(2S)-4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 107827757

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid?
The IUPAC name of 2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid (CID 63999990) is 2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid.
What is the SMILES notation for 2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid?
The canonical SMILES for 2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid is CC1CCC(NC(=O)NC(CCC(=O)O)C(=O)O)C(C)C1.
What is the InChIKey of 2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid?
The InChIKey is HYRNERVHPBCNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-8-3-4-10(9(2)7-8)15-14(21)16-11(13(19)20)5-6-12(17)18/h8-11H,3-7H2,1-2H3,(H,17,18)(H,19,20)(H2,15,16,21).
What are the key properties of 2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid?
2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid has a molecular weight of 300.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid is sourced from PubChem (CID 63999990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).