5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid

C14H26N2O3 — CID 82848349

IUPAC5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(C)CC1CCCC1
InChIInChI=1S/C14H26N2O3/c1-11(6-5-9-13(17)18)15-14(19)16(2)10-12-7-3-4-8-12/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyOFEIMKYALQGENP-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds7

About 5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid

5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid (PubChem CID 82848349) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
PubChem CID82848349
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(C)CC1CCCC1
InChIInChI=1S/C14H26N2O3/c1-11(6-5-9-13(17)18)15-14(19)16(2)10-12-7-3-4-8-12/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyOFEIMKYALQGENP-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82848497
(2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid
CID 63657379
3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 122002482
5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid
CID 82844825
5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid
CID 82848337
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid
CID 105419701
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid
CID 82848247
4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 63655749
(2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61443524
5-(cyclobutylmethylcarbamoylamino)hexanoic acid
CID 82846581

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid (CID 82848349) is 5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)N(C)CC1CCCC1.
What is the InChIKey of 5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid?
The InChIKey is OFEIMKYALQGENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(6-5-9-13(17)18)15-14(19)16(2)10-12-7-3-4-8-12/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid?
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 82848349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).