2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid

C16H30N2O3 — CID 64816609

IUPAC2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)C(CCN)CCC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C16H30N2O3/c1-11(2)12(9-10-17)7-8-15(19)18-14-6-4-3-5-13(14)16(20)21/h11-14H,3-10,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyFJATUEFAIBPLJF-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.15
Rot. Bonds8

About 2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid

2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 64816609) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID64816609
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)C(CCN)CCC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C16H30N2O3/c1-11(2)12(9-10-17)7-8-15(19)18-14-6-4-3-5-13(14)16(20)21/h11-14H,3-10,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyFJATUEFAIBPLJF-UHFFFAOYSA-N
XLogP2.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 64812288
2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 64814362
2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid
CID 82851867
2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid
CID 112547749
2-(4-aminobutanoylamino)cyclohexane-1-carboxamide
CID 119334193
4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011723
2-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 64816023
2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 64813718
4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide
CID 80600778
4-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-methylhexanamide
CID 107842822
2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 64814365
4-(2-aminoethyl)-5-methyl-N-(1-methyl-6-oxopiperidin-3-yl)hexanamide
CID 64669409

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid (CID 64816609) is 2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid is CC(C)C(CCN)CCC(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FJATUEFAIBPLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)12(9-10-17)7-8-15(19)18-14-6-4-3-5-13(14)16(20)21/h11-14H,3-10,17H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid?
2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64816609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).