[(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate

C17H30N2O6 — CID 137356920

IUPAC[(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate
SMILESCCCC(=O)OCC(C)(C)[C@@H](OC(=O)CCC)C(=O)NCCC(N)=O
InChIInChI=1S/C17H30N2O6/c1-5-7-13(21)24-11-17(3,4)15(25-14(22)8-6-2)16(23)19-10-9-12(18)20/h15H,5-11H2,1-4H3,(H2,18,20)(H,19,23)/t15-/m0/s1
InChIKeyGSOWPBZTHJVSNV-HNNXBMFYSA-N
MW358.44 g/mol
LogP1.06
Rot. Bonds12

About [(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate

[(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate (PubChem CID 137356920) has the molecular formula C17H30N2O6 and a molecular weight of 358.44 g/mol. Its IUPAC name is [(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate.

Molecular Properties

Compound Name[(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate
PubChem CID137356920
Molecular FormulaC17H30N2O6
Molecular Weight358.44 g/mol
Exact Mass358.21
IUPAC Name[(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate
SMILESCCCC(=O)OCC(C)(C)[C@@H](OC(=O)CCC)C(=O)NCCC(N)=O
InChIInChI=1S/C17H30N2O6/c1-5-7-13(21)24-11-17(3,4)15(25-14(22)8-6-2)16(23)19-10-9-12(18)20/h15H,5-11H2,1-4H3,(H2,18,20)(H,19,23)/t15-/m0/s1
InChIKeyGSOWPBZTHJVSNV-HNNXBMFYSA-N
XLogP1.06
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate with MolForge

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Launch Full Analysis

Related Compounds

3-[[(2R)-2,4-bis[[5-(2-hexyldecoxy)-5-oxopentanoyl]oxy]-3,3-dimethylbutanoyl]amino]propanoic acid
CID 175610319
[3-acetyloxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butyl] acetate
CID 130382457
[3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate
CID 145046697
calcium;(4-amino-3-hydroxy-2,2-dimethyl-4-oxobutyl) butanoate;hydride
CID 173409723
[3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane
CID 145046696
(2S)-N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 59125211
[(3R)-3-acetyloxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] acetate
CID 156904721
3-O-[3-(4-methoxy-4-oxobutanoyl)oxy-4-[[3-[[3-(3-methoxy-3-oxopropyl)sulfanyl-3-oxopropyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] 1-O-methyl 2-methylpropanedioate
CID 146598193
[(2S)-2,3-diamino-2-methyl-3-oxopropyl] butanoate
CID 174658783
[3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate
CID 145046693
[(3R)-3-iodooxy-2,2-dimethyl-4-oxo-4-(3-oxobutylamino)butyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 90215404
[(3R)-3-acetyloxy-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate
CID 156904694

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate?
The IUPAC name of [(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate (CID 137356920) is [(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate.
What is the SMILES notation for [(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate?
The canonical SMILES for [(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate is CCCC(=O)OCC(C)(C)[C@@H](OC(=O)CCC)C(=O)NCCC(N)=O.
What is the InChIKey of [(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate?
The InChIKey is GSOWPBZTHJVSNV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N2O6/c1-5-7-13(21)24-11-17(3,4)15(25-14(22)8-6-2)16(23)19-10-9-12(18)20/h15H,5-11H2,1-4H3,(H2,18,20)(H,19,23)/t15-/m0/s1.
What are the key properties of [(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate?
[(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate has a molecular weight of 358.44 g/mol, XLogP of 1.06, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate is sourced from PubChem (CID 137356920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).