(3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid

C14H26N2O3 — CID 65495163

IUPAC(3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)C[C@H](CNC(=O)C1CCCC1N)CC(=O)O
InChIInChI=1S/C14H26N2O3/c1-9(2)6-10(7-13(17)18)8-16-14(19)11-4-3-5-12(11)15/h9-12H,3-8,15H2,1-2H3,(H,16,19)(H,17,18)/t10-,11?,12?/m0/s1
InChIKeyDRGRGOZUXFDWOW-UNXYVOJBSA-N
MW270.37 g/mol
LogP1.37
Rot. Bonds7

About (3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid

(3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid (PubChem CID 65495163) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name(3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid
PubChem CID65495163
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)C[C@H](CNC(=O)C1CCCC1N)CC(=O)O
InChIInChI=1S/C14H26N2O3/c1-9(2)6-10(7-13(17)18)8-16-14(19)11-4-3-5-12(11)15/h9-12H,3-8,15H2,1-2H3,(H,16,19)(H,17,18)/t10-,11?,12?/m0/s1
InChIKeyDRGRGOZUXFDWOW-UNXYVOJBSA-N
XLogP1.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

3-[[(2-aminocyclopentanecarbonyl)amino]methyl]pentanoic acid
CID 81073216
(3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid
CID 107175625
2-amino-N-(2-hydroxy-4-methylpentyl)cyclopentane-1-carboxamide
CID 103812101
(3S)-5-methyl-3-[[(2-methylcyclopropanecarbonyl)amino]methyl]hexanoic acid
CID 65492659
3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 64824640
4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid
CID 103157199
3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid
CID 64824606
2-amino-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221074
5-methyl-3-[[[(2S)-oxolane-2-carbonyl]amino]methyl]hexanoic acid
CID 104855778
(3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid
CID 103869655
(3S)-3-[(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)methyl]-5-methylhexanoic acid
CID 102893245
2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119875547

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid?
The IUPAC name of (3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid (CID 65495163) is (3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid.
What is the SMILES notation for (3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid?
The canonical SMILES for (3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid is CC(C)C[C@H](CNC(=O)C1CCCC1N)CC(=O)O.
What is the InChIKey of (3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid?
The InChIKey is DRGRGOZUXFDWOW-UNXYVOJBSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)6-10(7-13(17)18)8-16-14(19)11-4-3-5-12(11)15/h9-12H,3-8,15H2,1-2H3,(H,16,19)(H,17,18)/t10-,11?,12?/m0/s1.
What are the key properties of (3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid?
(3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid is sourced from PubChem (CID 65495163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).