2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate

C19H29NO3 — CID 23256139

IUPAC2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate
SMILESCC(C)COC(=O)[C@H](C)C[C@H](C)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C19H29NO3/c1-13(2)12-23-19(22)15(4)11-14(3)18(21)20-16(5)17-9-7-6-8-10-17/h6-10,13-16H,11-12H2,1-5H3,(H,20,21)/t14-,15+,16+/m0/s1
InChIKeyQFJPGSPAARAPNE-ARFHVFGLSA-N
MW319.44 g/mol
LogP3.73
Rot. Bonds8

About 2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate

2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate (PubChem CID 23256139) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate.

Molecular Properties

Compound Name2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate
PubChem CID23256139
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate
SMILESCC(C)COC(=O)[C@H](C)C[C@H](C)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C19H29NO3/c1-13(2)12-23-19(22)15(4)11-14(3)18(21)20-16(5)17-9-7-6-8-10-17/h6-10,13-16H,11-12H2,1-5H3,(H,20,21)/t14-,15+,16+/m0/s1
InChIKeyQFJPGSPAARAPNE-ARFHVFGLSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate with MolForge

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Related Compounds

(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153
4,4-diethoxy-2-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 118589322
2-methyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]propanamide
CID 102214409
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide
CID 135041041
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 10967206
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate?
The IUPAC name of 2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate (CID 23256139) is 2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate.
What is the SMILES notation for 2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate?
The canonical SMILES for 2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate is CC(C)COC(=O)[C@H](C)C[C@H](C)C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate?
The InChIKey is QFJPGSPAARAPNE-ARFHVFGLSA-N. The full InChI is InChI=1S/C19H29NO3/c1-13(2)12-23-19(22)15(4)11-14(3)18(21)20-16(5)17-9-7-6-8-10-17/h6-10,13-16H,11-12H2,1-5H3,(H,20,21)/t14-,15+,16+/m0/s1.
What are the key properties of 2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate?
2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate has a molecular weight of 319.44 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (2R,4S)-2,4-dimethyl-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoate is sourced from PubChem (CID 23256139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).