(3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid

C15H27NO3 — CID 107175625

IUPAC(3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid
SMILESCC(C)C[C@H](CNC(=O)C1CCCC1C)CC(=O)O
InChIInChI=1S/C15H27NO3/c1-10(2)7-12(8-14(17)18)9-16-15(19)13-6-4-5-11(13)3/h10-13H,4-9H2,1-3H3,(H,16,19)(H,17,18)/t11?,12-,13?/m0/s1
InChIKeyIAQROSKZYNGYRP-CPCZMJQVSA-N
MW269.38 g/mol
LogP2.68
Rot. Bonds7

About (3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid

(3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid (PubChem CID 107175625) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid.

Molecular Properties

Compound Name(3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid
PubChem CID107175625
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid
SMILESCC(C)C[C@H](CNC(=O)C1CCCC1C)CC(=O)O
InChIInChI=1S/C15H27NO3/c1-10(2)7-12(8-14(17)18)9-16-15(19)13-6-4-5-11(13)3/h10-13H,4-9H2,1-3H3,(H,16,19)(H,17,18)/t11?,12-,13?/m0/s1
InChIKeyIAQROSKZYNGYRP-CPCZMJQVSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid with MolForge

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Related Compounds

6-((Isononoyl)amino)hexanoic acid
CID 166214
4-[(Acetylamino)methyl]cyclohexanecarboxylic acid
CID 82653
(3S)-3-(acetamidomethyl)-5-methylhexanoic acid
CID 57734488
(3S)-3-(formamidomethyl)-5-methylhexanoic acid
CID 65495126
2-((((Tert-butoxy)carbonyl)amino)methyl)cyclopentane-1-carboxylic acid
CID 65896247
6-((2-Ethyl-1-oxohexyl)amino)hexanoic acid
CID 173331
(3S)-5-methyl-3-(pentanamidomethyl)hexanoic acid
CID 65493468
1-{[(Propan-2-yl)carbamoyl]methyl}cyclopentane-1-carboxylic acid
CID 2474304
(3S)-5-methyl-3-[(3,3,3-trifluoropropanoylamino)methyl]hexanoic acid
CID 65492243
5-Methyl-3-[(3,3,3-trifluoropropanoylamino)methyl]hexanoic acid
CID 65492275
(3S)-5-methyl-3-[(trifluoroacetamido)methyl]hexanoic acid
CID 65494731
5-Methyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]hexanoic acid
CID 65526755

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid?
The IUPAC name of (3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid (CID 107175625) is (3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid.
What is the SMILES notation for (3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid?
The canonical SMILES for (3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid is CC(C)C[C@H](CNC(=O)C1CCCC1C)CC(=O)O.
What is the InChIKey of (3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid?
The InChIKey is IAQROSKZYNGYRP-CPCZMJQVSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10(2)7-12(8-14(17)18)9-16-15(19)13-6-4-5-11(13)3/h10-13H,4-9H2,1-3H3,(H,16,19)(H,17,18)/t11?,12-,13?/m0/s1.
What are the key properties of (3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid?
(3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid is sourced from PubChem (CID 107175625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).