(2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal

C10H16N2O2 — CID 167481044

IUPAC(2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal
SMILESCN[C@H](C=O)CC1CC2(CC2)NC1=O
InChIInChI=1S/C10H16N2O2/c1-11-8(6-13)4-7-5-10(2-3-10)12-9(7)14/h6-8,11H,2-5H2,1H3,(H,12,14)/t7?,8-/m0/s1
InChIKeyBGYIJDIKFNZUKT-MQWKRIRWSA-N
MW196.25 g/mol
LogP-0.17
Rot. Bonds4

About (2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal

(2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal (PubChem CID 167481044) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal.

Molecular Properties

Compound Name(2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal
PubChem CID167481044
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal
SMILESCN[C@H](C=O)CC1CC2(CC2)NC1=O
InChIInChI=1S/C10H16N2O2/c1-11-8(6-13)4-7-5-10(2-3-10)12-9(7)14/h6-8,11H,2-5H2,1H3,(H,12,14)/t7?,8-/m0/s1
InChIKeyBGYIJDIKFNZUKT-MQWKRIRWSA-N
XLogP-0.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile
CID 167481421
ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one
CID 167481225
methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride
CID 156884095
N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide
CID 166893698
tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate
CID 167481864
6-tert-butyl-4-azaspiro[2.4]heptan-5-one
CID 176748815
(2S)-2-[[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]-4,4-dimethyl-N-[(2R)-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]propan-2-yl]pentanamide
CID 166840380
2-[[3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]-4,4-dimethyl-N-[1-methylimino-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propan-2-yl]pentanamide
CID 167229683
ethane;6-methyl-4-azaspiro[2.4]heptan-5-one
CID 168941939
(1R,2S,5S)-N-[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167480981
N-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide
CID 156883670
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide
CID 167482337

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal?
The IUPAC name of (2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal (CID 167481044) is (2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal.
What is the SMILES notation for (2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal?
The canonical SMILES for (2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal is CN[C@H](C=O)CC1CC2(CC2)NC1=O.
What is the InChIKey of (2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal?
The InChIKey is BGYIJDIKFNZUKT-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-11-8(6-13)4-7-5-10(2-3-10)12-9(7)14/h6-8,11H,2-5H2,1H3,(H,12,14)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal?
(2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal has a molecular weight of 196.25 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal is sourced from PubChem (CID 167481044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).