(2S)-2-amino-5-[(3S,4R,6R)-4-hydroxy-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-5-oxopentanamide

C20H28N4O4 — CID 155996008

IUPAC(2S)-2-amino-5-[(3S,4R,6R)-4-hydroxy-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-5-oxopentanamide
SMILESNC(=O)[C@@H](N)CCC(=O)N1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1
InChIInChI=1S/C20H28N4O4/c21-14(18(22)27)7-8-16(26)24-10-4-9-20(12-24)11-15(25)17(23-19(20)28)13-5-2-1-3-6-13/h1-3,5-6,14-15,17,25H,4,7-12,21H2,(H2,22,27)(H,23,28)/t14-,15+,17-,20+/m0/s1
InChIKeyLULXRWWLGXNVFA-NVALYEJGSA-N
MW388.47 g/mol
LogP-0.19
Rot. Bonds5

About (2S)-2-amino-5-[(3S,4R,6R)-4-hydroxy-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-5-oxopentanamide

(2S)-2-amino-5-[(3S,4R,6R)-4-hydroxy-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-5-oxopentanamide (PubChem CID 155996008) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is (2S)-2-amino-5-[(3S,4R,6R)-4-hydroxy-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-5-oxopentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-[(3S,4R,6R)-4-hydroxy-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-5-oxopentanamide
PubChem CID155996008
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name(2S)-2-amino-5-[(3S,4R,6R)-4-hydroxy-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-5-oxopentanamide
SMILESNC(=O)[C@@H](N)CCC(=O)N1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1
InChIInChI=1S/C20H28N4O4/c21-14(18(22)27)7-8-16(26)24-10-4-9-20(12-24)11-15(25)17(23-19(20)28)13-5-2-1-3-6-13/h1-3,5-6,14-15,17,25H,4,7-12,21H2,(H2,22,27)(H,23,28)/t14-,15+,17-,20+/m0/s1
InChIKeyLULXRWWLGXNVFA-NVALYEJGSA-N
XLogP-0.19
TPSA138.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[(3S,4R,6R)-4-hydroxy-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-5-oxopentanamide?
The IUPAC name of (2S)-2-amino-5-[(3S,4R,6R)-4-hydroxy-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-5-oxopentanamide (CID 155996008) is (2S)-2-amino-5-[(3S,4R,6R)-4-hydroxy-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-5-oxopentanamide.
What is the SMILES notation for (2S)-2-amino-5-[(3S,4R,6R)-4-hydroxy-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-5-oxopentanamide?
The canonical SMILES for (2S)-2-amino-5-[(3S,4R,6R)-4-hydroxy-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-5-oxopentanamide is NC(=O)[C@@H](N)CCC(=O)N1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1.
What is the InChIKey of (2S)-2-amino-5-[(3S,4R,6R)-4-hydroxy-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-5-oxopentanamide?
The InChIKey is LULXRWWLGXNVFA-NVALYEJGSA-N. The full InChI is InChI=1S/C20H28N4O4/c21-14(18(22)27)7-8-16(26)24-10-4-9-20(12-24)11-15(25)17(23-19(20)28)13-5-2-1-3-6-13/h1-3,5-6,14-15,17,25H,4,7-12,21H2,(H2,22,27)(H,23,28)/t14-,15+,17-,20+/m0/s1.
What are the key properties of (2S)-2-amino-5-[(3S,4R,6R)-4-hydroxy-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-5-oxopentanamide?
(2S)-2-amino-5-[(3S,4R,6R)-4-hydroxy-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-5-oxopentanamide has a molecular weight of 388.47 g/mol, XLogP of -0.19, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[(3S,4R,6R)-4-hydroxy-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-5-oxopentanamide is sourced from PubChem (CID 155996008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).