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

C14H26N2O3 — CID 115450761

IUPAC1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)C(CCN)CCC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-10(2)11(5-8-15)3-4-12(17)16-9-14(6-7-14)13(18)19/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHSJRNMUOEQXHEI-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.37
Rot. Bonds9

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

1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450761) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450761
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)C(CCN)CCC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-10(2)11(5-8-15)3-4-12(17)16-9-14(6-7-14)13(18)19/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHSJRNMUOEQXHEI-UHFFFAOYSA-N
XLogP1.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450682
1-[[(6-amino-4-methylhexanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433630
1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445917
1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450774
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 82853421
2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid
CID 65224044
4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide
CID 65035783
1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445879
1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450630
1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445871
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115450761) is 1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid is CC(C)C(CCN)CCC(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is HSJRNMUOEQXHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)11(5-8-15)3-4-12(17)16-9-14(6-7-14)13(18)19/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.37, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).