[(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate

C20H31NO4 — CID 58732204

IUPAC[(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate
SMILESCCCC(CCC)C(=O)O[C@H](C)[C@H](NC)C(=O)OCc1ccccc1
InChIInChI=1S/C20H31NO4/c1-5-10-17(11-6-2)19(22)25-15(3)18(21-4)20(23)24-14-16-12-8-7-9-13-16/h7-9,12-13,15,17-18,21H,5-6,10-11,14H2,1-4H3/t15-,18+/m1/s1
InChIKeySLTGPLCRDQXIKL-QAPCUYQASA-N
MW349.47 g/mol
LogP3.47
Rot. Bonds11

About [(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate

[(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate (PubChem CID 58732204) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is [(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate.

Molecular Properties

Compound Name[(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate
PubChem CID58732204
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Name[(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate
SMILESCCCC(CCC)C(=O)O[C@H](C)[C@H](NC)C(=O)OCc1ccccc1
InChIInChI=1S/C20H31NO4/c1-5-10-17(11-6-2)19(22)25-15(3)18(21-4)20(23)24-14-16-12-8-7-9-13-16/h7-9,12-13,15,17-18,21H,5-6,10-11,14H2,1-4H3/t15-,18+/m1/s1
InChIKeySLTGPLCRDQXIKL-QAPCUYQASA-N
XLogP3.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate with MolForge

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Related Compounds

benzyl (2S,3R,4S)-4-acetyloxy-3-methyl-2-(methylamino)pentanoate
CID 158343233
benzyl (2S)-3-methyl-2-(methylamino)butanoate
CID 7020231
benzyl 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 123691053
benzyl 2-propyldecanoate
CID 175305414
benzyl 2-butylhexanoate
CID 175287311
(1-oxo-1-phenylmethoxypropan-2-yl) 3-methyl-2-(methylamino)butanoate
CID 59575434
benzyl 2-decyldodecanoate
CID 129279401
benzyl 2-formylpentanoate
CID 173416593
benzyl 2-phenacylpentanoate
CID 174539289
benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
CID 144967680
[(2R)-1-oxo-1-phenylmethoxypentan-2-yl]azanium
CID 7350020
ethyl (2S,3S)-3-methyl-2-(methylamino)-4-(phenylmethoxyamino)butanoate
CID 91500277

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate?
The IUPAC name of [(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate (CID 58732204) is [(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate.
What is the SMILES notation for [(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate?
The canonical SMILES for [(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate is CCCC(CCC)C(=O)O[C@H](C)[C@H](NC)C(=O)OCc1ccccc1.
What is the InChIKey of [(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate?
The InChIKey is SLTGPLCRDQXIKL-QAPCUYQASA-N. The full InChI is InChI=1S/C20H31NO4/c1-5-10-17(11-6-2)19(22)25-15(3)18(21-4)20(23)24-14-16-12-8-7-9-13-16/h7-9,12-13,15,17-18,21H,5-6,10-11,14H2,1-4H3/t15-,18+/m1/s1.
What are the key properties of [(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate?
[(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate has a molecular weight of 349.47 g/mol, XLogP of 3.47, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-(methylamino)-4-oxo-4-phenylmethoxybutan-2-yl] 2-propylpentanoate is sourced from PubChem (CID 58732204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).