3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide

C10H19N3O2 — CID 76925491

IUPAC3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NCC1CCCC1)C(N)=NO
InChIInChI=1S/C10H19N3O2/c1-7(9(11)13-15)10(14)12-6-8-4-2-3-5-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyCWBTXXCQZXKZPK-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.68
Rot. Bonds4

About 3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide

3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide (PubChem CID 76925491) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide
PubChem CID76925491
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NCC1CCCC1)C(N)=NO
InChIInChI=1S/C10H19N3O2/c1-7(9(11)13-15)10(14)12-6-8-4-2-3-5-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyCWBTXXCQZXKZPK-UHFFFAOYSA-N
XLogP0.68
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide
CID 104866186
N-(cyclopentylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925494
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide
CID 76925873
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 76979808
N-(cyclobutylmethyl)-2-methyl-3-(methylamino)propanamide
CID 79196076
(2R)-2-amino-N-(cyclobutylmethyl)-3-methylbutanamide
CID 79011849
3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide
CID 76926545
3-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-hydroxyimino-2-methylpropanamide
CID 77133118

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide (CID 76925491) is 3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide is CC(C(=O)NCC1CCCC1)C(N)=NO.
What is the InChIKey of 3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide?
The InChIKey is CWBTXXCQZXKZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(9(11)13-15)10(14)12-6-8-4-2-3-5-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of 3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide?
3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide has a molecular weight of 213.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 76925491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).