(3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C15H20ClNO4 — CID 29416174

IUPAC(3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)[C@H](c1ccccc1Cl)[C@H](N)CC(=O)O
InChIInChI=1S/C15H20ClNO4/c1-15(2,3)21-14(20)13(11(17)8-12(18)19)9-6-4-5-7-10(9)16/h4-7,11,13H,8,17H2,1-3H3,(H,18,19)/t11-,13-/m1/s1
InChIKeyWIYGQHMOFSJRET-DGCLKSJQSA-N
MW313.78 g/mol
LogP2.57
Rot. Bonds5

About (3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

(3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 29416174) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is (3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name(3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID29416174
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name(3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)[C@H](c1ccccc1Cl)[C@H](N)CC(=O)O
InChIInChI=1S/C15H20ClNO4/c1-15(2,3)21-14(20)13(11(17)8-12(18)19)9-6-4-5-7-10(9)16/h4-7,11,13H,8,17H2,1-3H3,(H,18,19)/t11-,13-/m1/s1
InChIKeyWIYGQHMOFSJRET-DGCLKSJQSA-N
XLogP2.57
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid with MolForge

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Related Compounds

(3S,4S)-3-amino-4-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 95170386
(3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid
CID 29416205
(3R,4R)-3-amino-4-(3,4-dichlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 29416345
tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate
CID 51601253
(2R,3R)-3-amino-4-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 95383619
(2R,3S)-3-amino-4-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 95383620
3-(2-chlorophenyl)butanoic acid
CID 54775987
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
tert-butyl (2S)-2-amino-3-(2-chlorophenyl)propanoate
CID 54222459
methyl (3R)-3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91018494
tert-butyl 2-[2-amino-1-(2-chlorophenyl)propyl]sulfanylacetate
CID 116686908
diethyl 2-[(R)-(2-chlorophenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanedioate
CID 134849780

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of (3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 29416174) is (3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for (3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for (3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CC(C)(C)OC(=O)[C@H](c1ccccc1Cl)[C@H](N)CC(=O)O.
What is the InChIKey of (3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is WIYGQHMOFSJRET-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-15(2,3)21-14(20)13(11(17)8-12(18)19)9-6-4-5-7-10(9)16/h4-7,11,13H,8,17H2,1-3H3,(H,18,19)/t11-,13-/m1/s1.
What are the key properties of (3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
(3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 313.78 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 29416174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).