(2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide

C16H28N4O5 — CID 171080731

IUPAC(2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide
SMILESC[C@@H](O)[C@H](N)C(=O)N1CCCCCC12CN([C@H](C(N)=O)[C@@H](C)O)C2=O
InChIInChI=1S/C16H28N4O5/c1-9(21)11(17)14(24)20-7-5-3-4-6-16(20)8-19(15(16)25)12(10(2)22)13(18)23/h9-12,21-22H,3-8,17H2,1-2H3,(H2,18,23)/t9-,10-,11+,12+,16?/m1/s1
InChIKeyMFCVIPHPTBZCPU-VXYOSLNCSA-N
MW356.42 g/mol
LogP-2.09
Rot. Bonds5

About (2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide

(2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide (PubChem CID 171080731) has the molecular formula C16H28N4O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide.

Molecular Properties

Compound Name(2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide
PubChem CID171080731
Molecular FormulaC16H28N4O5
Molecular Weight356.42 g/mol
Exact Mass356.21
IUPAC Name(2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide
SMILESC[C@@H](O)[C@H](N)C(=O)N1CCCCCC12CN([C@H](C(N)=O)[C@@H](C)O)C2=O
InChIInChI=1S/C16H28N4O5/c1-9(21)11(17)14(24)20-7-5-3-4-6-16(20)8-19(15(16)25)12(10(2)22)13(18)23/h9-12,21-22H,3-8,17H2,1-2H3,(H2,18,23)/t9-,10-,11+,12+,16?/m1/s1
InChIKeyMFCVIPHPTBZCPU-VXYOSLNCSA-N
XLogP-2.09
TPSA150.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide?
The IUPAC name of (2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide (CID 171080731) is (2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide.
What is the SMILES notation for (2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide?
The canonical SMILES for (2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide is C[C@@H](O)[C@H](N)C(=O)N1CCCCCC12CN([C@H](C(N)=O)[C@@H](C)O)C2=O.
What is the InChIKey of (2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide?
The InChIKey is MFCVIPHPTBZCPU-VXYOSLNCSA-N. The full InChI is InChI=1S/C16H28N4O5/c1-9(21)11(17)14(24)20-7-5-3-4-6-16(20)8-19(15(16)25)12(10(2)22)13(18)23/h9-12,21-22H,3-8,17H2,1-2H3,(H2,18,23)/t9-,10-,11+,12+,16?/m1/s1.
What are the key properties of (2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide?
(2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide has a molecular weight of 356.42 g/mol, XLogP of -2.09, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide is sourced from PubChem (CID 171080731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).