2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid

C15H27NO2 — CID 122127965

IUPAC2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC1CCCC1C1CC1)C(=O)O
InChIInChI=1S/C15H27NO2/c1-10(2)8-12(15(17)18)9-16-14-5-3-4-13(14)11-6-7-11/h10-14,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyVQYUMXXHHJIIPI-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.90
Rot. Bonds7

About 2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid

2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid (PubChem CID 122127965) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid
PubChem CID122127965
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC1CCCC1C1CC1)C(=O)O
InChIInChI=1S/C15H27NO2/c1-10(2)8-12(15(17)18)9-16-14-5-3-4-13(14)11-6-7-11/h10-14,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyVQYUMXXHHJIIPI-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 43222835
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-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid
CID 103925732
(2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol
CID 113349396
4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid
CID 122127731
2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid
CID 122128043
4-methyl-2-[[(3,3,5-trimethylcyclohexyl)amino]methyl]pentanoic acid
CID 122127730
(2R)-4-methyl-2-[[[(1S,3S)-3-pyridin-3-ylcyclohexyl]amino]methyl]pentanoic acid
CID 129469330
4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid
CID 104855855
2-[(3-cyclohexylpropylamino)methyl]-4-methylpentanoic acid
CID 122128024
2-[[[1-(4-methoxy-4-oxobutyl)piperidin-4-yl]amino]methyl]-4-methylpentanoic acid
CID 122127900

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid (CID 122127965) is 2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid is CC(C)CC(CNC1CCCC1C1CC1)C(=O)O.
What is the InChIKey of 2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid?
The InChIKey is VQYUMXXHHJIIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10(2)8-12(15(17)18)9-16-14-5-3-4-13(14)11-6-7-11/h10-14,16H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid?
2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid has a molecular weight of 253.39 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 122127965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).