2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide

C12H20N4O3S — CID 134243496

IUPAC2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide
SMILESNC(=O)CN1CCC2(CCCN2C(=O)[C@@H](N)CS)C1=O
InChIInChI=1S/C12H20N4O3S/c13-8(7-20)10(18)16-4-1-2-12(16)3-5-15(11(12)19)6-9(14)17/h8,20H,1-7,13H2,(H2,14,17)/t8-,12?/m0/s1
InChIKeyRIGSEPUZGLUWAG-KBPLZSHQSA-N
MW300.38 g/mol
LogP-1.68
Rot. Bonds4

About 2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide

2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide (PubChem CID 134243496) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide
PubChem CID134243496
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide
SMILESNC(=O)CN1CCC2(CCCN2C(=O)[C@@H](N)CS)C1=O
InChIInChI=1S/C12H20N4O3S/c13-8(7-20)10(18)16-4-1-2-12(16)3-5-15(11(12)19)6-9(14)17/h8,20H,1-7,13H2,(H2,14,17)/t8-,12?/m0/s1
InChIKeyRIGSEPUZGLUWAG-KBPLZSHQSA-N
XLogP-1.68
TPSA109.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide
CID 134243495
2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide
CID 171080897
tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate
CID 10250034
2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid
CID 90330211
(2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide
CID 171080838
(2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
CID 171080666
2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide
CID 134486903
2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 24805629
2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide
CID 12698996
2-(3-oxo-2-azaspiro[4.4]nonan-2-yl)acetamide
CID 23336694
methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate
CID 59102586
2-(7-ethyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)acetamide
CID 139382770

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide?
The IUPAC name of 2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide (CID 134243496) is 2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide.
What is the SMILES notation for 2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide?
The canonical SMILES for 2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide is NC(=O)CN1CCC2(CCCN2C(=O)[C@@H](N)CS)C1=O.
What is the InChIKey of 2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide?
The InChIKey is RIGSEPUZGLUWAG-KBPLZSHQSA-N. The full InChI is InChI=1S/C12H20N4O3S/c13-8(7-20)10(18)16-4-1-2-12(16)3-5-15(11(12)19)6-9(14)17/h8,20H,1-7,13H2,(H2,14,17)/t8-,12?/m0/s1.
What are the key properties of 2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide?
2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide has a molecular weight of 300.38 g/mol, XLogP of -1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide is sourced from PubChem (CID 134243496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).