(2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid

C14H24N2O5 — CID 107839454

IUPAC(2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid
SMILESCC1(NC(=O)N[C@H](CCCC(=O)O)C(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O5/c1-14(8-3-2-4-9-14)16-13(21)15-10(12(19)20)6-5-7-11(17)18/h10H,2-9H2,1H3,(H,17,18)(H,19,20)(H2,15,16,21)/t10-/m1/s1
InChIKeySJZMACXVXUQDAU-SNVBAGLBSA-N
MW300.36 g/mol
LogP1.72
Rot. Bonds7

About (2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid

(2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid (PubChem CID 107839454) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid
PubChem CID107839454
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid
SMILESCC1(NC(=O)N[C@H](CCCC(=O)O)C(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O5/c1-14(8-3-2-4-9-14)16-13(21)15-10(12(19)20)6-5-7-11(17)18/h10H,2-9H2,1H3,(H,17,18)(H,19,20)(H2,15,16,21)/t10-/m1/s1
InChIKeySJZMACXVXUQDAU-SNVBAGLBSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid?
The IUPAC name of (2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid (CID 107839454) is (2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid?
The canonical SMILES for (2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid is CC1(NC(=O)N[C@H](CCCC(=O)O)C(=O)O)CCCCC1.
What is the InChIKey of (2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid?
The InChIKey is SJZMACXVXUQDAU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(8-3-2-4-9-14)16-13(21)15-10(12(19)20)6-5-7-11(17)18/h10H,2-9H2,1H3,(H,17,18)(H,19,20)(H2,15,16,21)/t10-/m1/s1.
What are the key properties of (2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid?
(2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid has a molecular weight of 300.36 g/mol, XLogP of 1.72, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid is sourced from PubChem (CID 107839454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).