3-amino-4-(cyclopentylmethoxyamino)cyclobut-3-ene-1,2-dione

C10H14N2O3 — CID 142648861

IUPAC3-amino-4-(cyclopentylmethoxyamino)cyclobut-3-ene-1,2-dione
SMILESNc1c(NOCC2CCCC2)c(=O)c1=O
InChIInChI=1S/C10H14N2O3/c11-7-8(10(14)9(7)13)12-15-5-6-3-1-2-4-6/h6,12H,1-5,11H2
InChIKeyFKUZHNBOFLDRSS-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.40
Rot. Bonds4

About 3-amino-4-(cyclopentylmethoxyamino)cyclobut-3-ene-1,2-dione

3-amino-4-(cyclopentylmethoxyamino)cyclobut-3-ene-1,2-dione (PubChem CID 142648861) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-amino-4-(cyclopentylmethoxyamino)cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-amino-4-(cyclopentylmethoxyamino)cyclobut-3-ene-1,2-dione
PubChem CID142648861
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-amino-4-(cyclopentylmethoxyamino)cyclobut-3-ene-1,2-dione
SMILESNc1c(NOCC2CCCC2)c(=O)c1=O
InChIInChI=1S/C10H14N2O3/c11-7-8(10(14)9(7)13)12-15-5-6-3-1-2-4-6/h6,12H,1-5,11H2
InChIKeyFKUZHNBOFLDRSS-UHFFFAOYSA-N
XLogP0.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 23090322
6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 66322144
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CID 66323000
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopentylmethyl 2-methylpropanoate
CID 21063892
N-(cyclopropylmethoxy)propan-2-amine
CID 164734307
1-O-(cyclopentylmethyl) 3-O-methyl 2-methylpropanedioate
CID 174748990
4-(cyclopentylmethoxy)-2-methylaniline
CID 26190241
cyclopentylmethyl 3-aminopyridine-2-carboxylate
CID 103993262
5-amino-2-(cyclopentylmethoxy)pyridine-3-carboxamide
CID 66322147
cyclohexylmethoxymethylcyclohexane;hydroxylamine
CID 67759423
cycloheptylmethyl N-methylcarbamate
CID 57322822

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(cyclopentylmethoxyamino)cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-amino-4-(cyclopentylmethoxyamino)cyclobut-3-ene-1,2-dione (CID 142648861) is 3-amino-4-(cyclopentylmethoxyamino)cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-amino-4-(cyclopentylmethoxyamino)cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-amino-4-(cyclopentylmethoxyamino)cyclobut-3-ene-1,2-dione is Nc1c(NOCC2CCCC2)c(=O)c1=O.
What is the InChIKey of 3-amino-4-(cyclopentylmethoxyamino)cyclobut-3-ene-1,2-dione?
The InChIKey is FKUZHNBOFLDRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-7-8(10(14)9(7)13)12-15-5-6-3-1-2-4-6/h6,12H,1-5,11H2.
What are the key properties of 3-amino-4-(cyclopentylmethoxyamino)cyclobut-3-ene-1,2-dione?
3-amino-4-(cyclopentylmethoxyamino)cyclobut-3-ene-1,2-dione has a molecular weight of 210.23 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(cyclopentylmethoxyamino)cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 142648861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).