(3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate

C14H18NO4- — CID 6946319

IUPAC(3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate
SMILESCC(C)Oc1ccc([C@H](CC(N)=O)CC(=O)[O-])cc1
InChIInChI=1S/C14H19NO4/c1-9(2)19-12-5-3-10(4-6-12)11(7-13(15)16)8-14(17)18/h3-6,9,11H,7-8H2,1-2H3,(H2,15,16)(H,17,18)/p-1/t11-/m1/s1
InChIKeyNQGDMWWMAHGTGZ-LLVKDONJSA-M
MW264.30 g/mol
LogP0.57
Rot. Bonds7

About (3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate

(3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate (PubChem CID 6946319) has the molecular formula C14H18NO4- and a molecular weight of 264.30 g/mol. Its IUPAC name is (3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate.

Molecular Properties

Compound Name(3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate
PubChem CID6946319
Molecular FormulaC14H18NO4-
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Name(3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate
SMILESCC(C)Oc1ccc([C@H](CC(N)=O)CC(=O)[O-])cc1
InChIInChI=1S/C14H19NO4/c1-9(2)19-12-5-3-10(4-6-12)11(7-13(15)16)8-14(17)18/h3-6,9,11H,7-8H2,1-2H3,(H2,15,16)(H,17,18)/p-1/t11-/m1/s1
InChIKeyNQGDMWWMAHGTGZ-LLVKDONJSA-M
XLogP0.57
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-(4-propan-2-yloxyphenyl)heptanoic acid
CID 3360093
(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate
CID 7332925
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 91637762
ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 4201753
(3R)-3-[[(3S)-3-phenylbutanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 7044840
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 5058619
3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 2939109
3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 116850305
3-(ethylamino)-3-(3-propan-2-yloxyphenyl)propanamide
CID 65233677
2-(4-propan-2-yloxyphenyl)pentan-3-one
CID 79308465
5-ethoxy-5-oxo-3-phenylpentanoate
CID 71341671
(3S)-5-ethoxy-5-oxo-3-phenylpentanoate
CID 71354440

Frequently Asked Questions

What is the IUPAC name of (3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate?
The IUPAC name of (3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate (CID 6946319) is (3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate.
What is the SMILES notation for (3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate?
The canonical SMILES for (3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate is CC(C)Oc1ccc([C@H](CC(N)=O)CC(=O)[O-])cc1.
What is the InChIKey of (3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate?
The InChIKey is NQGDMWWMAHGTGZ-LLVKDONJSA-M. The full InChI is InChI=1S/C14H19NO4/c1-9(2)19-12-5-3-10(4-6-12)11(7-13(15)16)8-14(17)18/h3-6,9,11H,7-8H2,1-2H3,(H2,15,16)(H,17,18)/p-1/t11-/m1/s1.
What are the key properties of (3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate?
(3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate has a molecular weight of 264.30 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate is sourced from PubChem (CID 6946319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).