2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide

C13H26N2O2 — CID 114164712

IUPAC2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide
SMILESCCC(CC)(CO)CNC(=O)C1CCCC1N
InChIInChI=1S/C13H26N2O2/c1-3-13(4-2,9-16)8-15-12(17)10-6-5-7-11(10)14/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyDYVSYMYEONHUBZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.03
Rot. Bonds6

About 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide

2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide (PubChem CID 114164712) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide
PubChem CID114164712
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide
SMILESCCC(CC)(CO)CNC(=O)C1CCCC1N
InChIInChI=1S/C13H26N2O2/c1-3-13(4-2,9-16)8-15-12(17)10-6-5-7-11(10)14/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyDYVSYMYEONHUBZ-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,3-dihydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66186728
2-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopentane-1-carboxamide
CID 64852632
methyl 2-[(2-aminocyclopentanecarbonyl)amino]acetate
CID 64823371
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)cycloheptane-1-carboxamide
CID 103809539
2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide
CID 113266935
2-amino-N-(2-hydroxypentyl)cyclopentane-1-carboxamide
CID 115739388
2-amino-N-(2-methyl-2-phenylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119724297
2-amino-N-(4-hydroxybutyl)cyclopentane-1-carboxamide
CID 106842187
N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106251975
2-amino-N-(5-hydroxy-4-methylpentyl)cyclopentane-1-carboxamide
CID 106161348
(3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
CID 114164701
cis-(1R,2S)-2-amino-N-propan-2-ylcyclopentane-1-carboxamide
CID 67437509

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide (CID 114164712) is 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide is CCC(CC)(CO)CNC(=O)C1CCCC1N.
What is the InChIKey of 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide?
The InChIKey is DYVSYMYEONHUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-13(4-2,9-16)8-15-12(17)10-6-5-7-11(10)14/h10-11,16H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide?
2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 114164712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).