4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid

C18H35NO2 — CID 122127731

IUPAC4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid
SMILESCCC(C)(C)C1CCC(NCC(CC(C)C)C(=O)O)CC1
InChIInChI=1S/C18H35NO2/c1-6-18(4,5)15-7-9-16(10-8-15)19-12-14(17(20)21)11-13(2)3/h13-16,19H,6-12H2,1-5H3,(H,20,21)
InChIKeyYXRRLCNUOBESOW-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.32
Rot. Bonds8

About 4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid

4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid (PubChem CID 122127731) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid
PubChem CID122127731
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid
SMILESCCC(C)(C)C1CCC(NCC(CC(C)C)C(=O)O)CC1
InChIInChI=1S/C18H35NO2/c1-6-18(4,5)15-7-9-16(10-8-15)19-12-14(17(20)21)11-13(2)3/h13-16,19H,6-12H2,1-5H3,(H,20,21)
InChIKeyYXRRLCNUOBESOW-UHFFFAOYSA-N
XLogP4.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid with MolForge

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Related Compounds

4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid
CID 122128027
4-methyl-2-[(oxan-3-ylamino)methyl]pentanoic acid
CID 122127774
2-[[[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]amino]methyl]-4-methylpentanoic acid
CID 122127968
3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 62727193
2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine
CID 43094810
2-methyl-3-(methylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 79195672
2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid
CID 122127965
(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 119272259
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]ethanol
CID 43085230
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
2-[[[1-(4-methoxy-4-oxobutyl)piperidin-4-yl]amino]methyl]-4-methylpentanoic acid
CID 122127900
4-methyl-2-[[(3,3,5-trimethylcyclohexyl)amino]methyl]pentanoic acid
CID 122127730

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid (CID 122127731) is 4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid is CCC(C)(C)C1CCC(NCC(CC(C)C)C(=O)O)CC1.
What is the InChIKey of 4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid?
The InChIKey is YXRRLCNUOBESOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-6-18(4,5)15-7-9-16(10-8-15)19-12-14(17(20)21)11-13(2)3/h13-16,19H,6-12H2,1-5H3,(H,20,21).
What are the key properties of 4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid?
4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid has a molecular weight of 297.48 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 122127731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).