(4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide

C13H22N4O3 — CID 134243488

IUPAC(4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide
SMILESNC(=O)CC[C@H](N)C(=O)N1CCCC2(CCNC2=O)C1
InChIInChI=1S/C13H22N4O3/c14-9(2-3-10(15)18)11(19)17-7-1-4-13(8-17)5-6-16-12(13)20/h9H,1-8,14H2,(H2,15,18)(H,16,20)/t9-,13?/m0/s1
InChIKeyVMIXWJYCMVGQLW-LLTODGECSA-N
MW282.34 g/mol
LogP-1.29
Rot. Bonds4

About (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide

(4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide (PubChem CID 134243488) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide.

Molecular Properties

Compound Name(4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide
PubChem CID134243488
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name(4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide
SMILESNC(=O)CC[C@H](N)C(=O)N1CCCC2(CCNC2=O)C1
InChIInChI=1S/C13H22N4O3/c14-9(2-3-10(15)18)11(19)17-7-1-4-13(8-17)5-6-16-12(13)20/h9H,1-8,14H2,(H2,15,18)(H,16,20)/t9-,13?/m0/s1
InChIKeyVMIXWJYCMVGQLW-LLTODGECSA-N
XLogP-1.29
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S,5S)-N-(cyanomethyl)-N-ethyl-5-methyl-4-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide
CID 16064807
7-Methyl-2,7-diazaspiro(4.5)decan-6-one
CID 51072222
2-Methyl-2,7-diazaspiro[4.5]decan-1-one
CID 45074128
2-Isopropyl-2,7-diazaspiro[4.5]decan-1-one
CID 45074134
2-(2-Methylpropyl)-2,9-diazaspiro[4.5]decan-1-one
CID 118741541
5-Oxo-1-(piperidin-4-YL)pyrrolidine-2-carboxamide
CID 86820478
7-Methyl-2,7-diazaspiro[4.5]decan-6-one hydrochloride
CID 75481667
1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 124052802
1-[1-(3,3-Dimethylbutanoyl)piperidin-4-YL]-5-oxo-N-(propan-2-YL)pyrrolidine-2-carboxamide
CID 124078454
N-propan-2-yl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 156601541
1-(Piperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 43212185
2-Isopropyl-2,7-diazaspiro[4.5]decan-1-one hydrochloride
CID 45074133

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide?
The IUPAC name of (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide (CID 134243488) is (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide.
What is the SMILES notation for (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide?
The canonical SMILES for (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide is NC(=O)CC[C@H](N)C(=O)N1CCCC2(CCNC2=O)C1.
What is the InChIKey of (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide?
The InChIKey is VMIXWJYCMVGQLW-LLTODGECSA-N. The full InChI is InChI=1S/C13H22N4O3/c14-9(2-3-10(15)18)11(19)17-7-1-4-13(8-17)5-6-16-12(13)20/h9H,1-8,14H2,(H2,15,18)(H,16,20)/t9-,13?/m0/s1.
What are the key properties of (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide?
(4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide has a molecular weight of 282.34 g/mol, XLogP of -1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-oxo-5-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pentanamide is sourced from PubChem (CID 134243488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).