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

C15H25N5O4S — CID 134243495

IUPAC(2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide
SMILESNC(=O)CC[C@@H](C(N)=O)N1CCC2(CCCN2C(=O)[C@@H](N)CS)C1=O
InChIInChI=1S/C15H25N5O4S/c16-9(8-25)13(23)20-6-1-4-15(20)5-7-19(14(15)24)10(12(18)22)2-3-11(17)21/h9-10,25H,1-8,16H2,(H2,17,21)(H2,18,22)/t9-,10-,15?/m0/s1
InChIKeyHJHCBNGESHVBNZ-WUAMPTBBSA-N
MW371.46 g/mol
LogP-2.04
Rot. Bonds7

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

(2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide (PubChem CID 134243495) has the molecular formula C15H25N5O4S and a molecular weight of 371.46 g/mol. Its IUPAC name is (2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide.

Molecular Properties

Compound Name(2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide
PubChem CID134243495
Molecular FormulaC15H25N5O4S
Molecular Weight371.46 g/mol
Exact Mass371.16
IUPAC Name(2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide
SMILESNC(=O)CC[C@@H](C(N)=O)N1CCC2(CCCN2C(=O)[C@@H](N)CS)C1=O
InChIInChI=1S/C15H25N5O4S/c16-9(8-25)13(23)20-6-1-4-15(20)5-7-19(14(15)24)10(12(18)22)2-3-11(17)21/h9-10,25H,1-8,16H2,(H2,17,21)(H2,18,22)/t9-,10-,15?/m0/s1
InChIKeyHJHCBNGESHVBNZ-WUAMPTBBSA-N
XLogP-2.04
TPSA152.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide
CID 134243496
(2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide
CID 171080838
(2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid
CID 135605579
(2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
CID 171080666
2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
CID 134244860
(2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide
CID 171080731
2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide
CID 171080897
tert-butyl 7-[(2S)-3-cyclopropyl-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 162478854
2-(3-hydroxy-7-methyl-2-azaspiro[3.5]nonan-2-yl)pentanediamide
CID 134244859
tert-butyl (5S)-9-[(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate
CID 10905991
(2S)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-7-cyano-7-methyl-3-oxo-6-phenyl-2,5-diazaspiro[3.4]octan-2-yl]pentanediamide
CID 171080682
[3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium
CID 148619155

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide?
The IUPAC name of (2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide (CID 134243495) is (2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide.
What is the SMILES notation for (2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide?
The canonical SMILES for (2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide is NC(=O)CC[C@@H](C(N)=O)N1CCC2(CCCN2C(=O)[C@@H](N)CS)C1=O.
What is the InChIKey of (2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide?
The InChIKey is HJHCBNGESHVBNZ-WUAMPTBBSA-N. The full InChI is InChI=1S/C15H25N5O4S/c16-9(8-25)13(23)20-6-1-4-15(20)5-7-19(14(15)24)10(12(18)22)2-3-11(17)21/h9-10,25H,1-8,16H2,(H2,17,21)(H2,18,22)/t9-,10-,15?/m0/s1.
What are the key properties of (2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide?
(2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide has a molecular weight of 371.46 g/mol, XLogP of -2.04, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide is sourced from PubChem (CID 134243495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).