(2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid

C14H24N2O5 — CID 64743340

IUPAC(2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid
SMILESCCC1CCCC(NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-2-9-4-3-5-10(8-9)15-14(21)16-11(13(19)20)6-7-12(17)18/h9-11H,2-8H2,1H3,(H,17,18)(H,19,20)(H2,15,16,21)/t9?,10?,11-/m0/s1
InChIKeyORUOWHIADPQZQV-ILDUYXDCSA-N
MW300.36 g/mol
LogP1.57
Rot. Bonds7

About (2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid

(2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid (PubChem CID 64743340) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid
PubChem CID64743340
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid
SMILESCCC1CCCC(NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-2-9-4-3-5-10(8-9)15-14(21)16-11(13(19)20)6-7-12(17)18/h9-11H,2-8H2,1H3,(H,17,18)(H,19,20)(H2,15,16,21)/t9?,10?,11-/m0/s1
InChIKeyORUOWHIADPQZQV-ILDUYXDCSA-N
XLogP1.57
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 64743920
4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 80541030
5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61199710
2-[(1-methylpiperidin-4-yl)carbamoylamino]pentanedioic acid
CID 61198418
2-(oxan-4-ylcarbamoylamino)pentanedioic acid
CID 61202775
(2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid
CID 107838293
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid
CID 107566467
(2S)-2-(piperidin-4-ylcarbamoylamino)pentanedioic acid
CID 61402901
3-[(3-ethylcyclohexyl)carbamoylamino]-3-methylbutanoic acid
CID 64743923
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 81069457
2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid
CID 63999990

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid?
The IUPAC name of (2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid (CID 64743340) is (2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid is CCC1CCCC(NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C1.
What is the InChIKey of (2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid?
The InChIKey is ORUOWHIADPQZQV-ILDUYXDCSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-2-9-4-3-5-10(8-9)15-14(21)16-11(13(19)20)6-7-12(17)18/h9-11H,2-8H2,1H3,(H,17,18)(H,19,20)(H2,15,16,21)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid?
(2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid has a molecular weight of 300.36 g/mol, XLogP of 1.57, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid is sourced from PubChem (CID 64743340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).