(4R)-4-amino-5-oxo-5-phenylmethoxypentanoate

C12H14NO4- — CID 53249735

IUPAC(4R)-4-amino-5-oxo-5-phenylmethoxypentanoate
SMILESN[C@H](CCC(=O)[O-])C(=O)OCc1ccccc1
InChIInChI=1S/C12H15NO4/c13-10(6-7-11(14)15)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,15)/p-1/t10-/m1/s1
InChIKeyHFZKKJHBHCZXTQ-SNVBAGLBSA-M
MW236.25 g/mol
LogP-0.41
Rot. Bonds6

About (4R)-4-amino-5-oxo-5-phenylmethoxypentanoate

(4R)-4-amino-5-oxo-5-phenylmethoxypentanoate (PubChem CID 53249735) has the molecular formula C12H14NO4- and a molecular weight of 236.25 g/mol. Its IUPAC name is (4R)-4-amino-5-oxo-5-phenylmethoxypentanoate.

Molecular Properties

Compound Name(4R)-4-amino-5-oxo-5-phenylmethoxypentanoate
PubChem CID53249735
Molecular FormulaC12H14NO4-
Molecular Weight236.25 g/mol
Exact Mass236.09
IUPAC Name(4R)-4-amino-5-oxo-5-phenylmethoxypentanoate
SMILESN[C@H](CCC(=O)[O-])C(=O)OCc1ccccc1
InChIInChI=1S/C12H15NO4/c13-10(6-7-11(14)15)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,15)/p-1/t10-/m1/s1
InChIKeyHFZKKJHBHCZXTQ-SNVBAGLBSA-M
XLogP-0.41
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632
(3S)-3-amino-4-oxo-4-phenylmethoxybutanoate
CID 51722874
(4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate
CID 7019727
1-O-benzyl 5-O-methyl (2S)-2-aminopentanedioate
CID 56777388
(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
benzyl (2S)-2-amino-4-bromobutanoate
CID 67264849
benzyl 2-amino-4-bromobutanoate
CID 18467389
benzyl 2-amino-4-iodobutanoate
CID 141050594
(6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid
CID 70487944
5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294
1-O-benzyl 5-O-tert-butyl 2-aminopentanedioate;hydrochloride
CID 118797500
benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate
CID 141344098

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-oxo-5-phenylmethoxypentanoate?
The IUPAC name of (4R)-4-amino-5-oxo-5-phenylmethoxypentanoate (CID 53249735) is (4R)-4-amino-5-oxo-5-phenylmethoxypentanoate.
What is the SMILES notation for (4R)-4-amino-5-oxo-5-phenylmethoxypentanoate?
The canonical SMILES for (4R)-4-amino-5-oxo-5-phenylmethoxypentanoate is N[C@H](CCC(=O)[O-])C(=O)OCc1ccccc1.
What is the InChIKey of (4R)-4-amino-5-oxo-5-phenylmethoxypentanoate?
The InChIKey is HFZKKJHBHCZXTQ-SNVBAGLBSA-M. The full InChI is InChI=1S/C12H15NO4/c13-10(6-7-11(14)15)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,15)/p-1/t10-/m1/s1.
What are the key properties of (4R)-4-amino-5-oxo-5-phenylmethoxypentanoate?
(4R)-4-amino-5-oxo-5-phenylmethoxypentanoate has a molecular weight of 236.25 g/mol, XLogP of -0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-oxo-5-phenylmethoxypentanoate is sourced from PubChem (CID 53249735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).