(2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid

C14H23NO6 — CID 107820646

IUPAC(2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)CCC1CCCCO1)C(=O)O
InChIInChI=1S/C14H23NO6/c1-20-13(17)8-6-11(14(18)19)15-12(16)7-5-10-4-2-3-9-21-10/h10-11H,2-9H2,1H3,(H,15,16)(H,18,19)/t10?,11-/m1/s1
InChIKeyMPWMDULTESCZHX-RRKGBCIJSA-N
MW301.34 g/mol
LogP0.86
Rot. Bonds8

About (2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid

(2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid (PubChem CID 107820646) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is (2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid
PubChem CID107820646
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name(2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)CCC1CCCCO1)C(=O)O
InChIInChI=1S/C14H23NO6/c1-20-13(17)8-6-11(14(18)19)15-12(16)7-5-10-4-2-3-9-21-10/h10-11H,2-9H2,1H3,(H,15,16)(H,18,19)/t10?,11-/m1/s1
InChIKeyMPWMDULTESCZHX-RRKGBCIJSA-N
XLogP0.86
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid
CID 82787504
(2S)-4-hydroxy-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 107821935
(2R)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid
CID 107827192
(2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid
CID 107827194
(2R)-3-methyl-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 79010668
methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate
CID 63953576
4-amino-4-oxo-2-[3-(oxolan-2-yl)propanoylamino]butanoic acid
CID 43357092
(2S)-4-amino-4-oxo-2-[3-(oxolan-2-yl)propanoylamino]butanoic acid
CID 55230932
N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
CID 106183350
N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
CID 106180827
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid
CID 81076491
methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate
CID 63939050

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid (CID 107820646) is (2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)CCC1CCCCO1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid?
The InChIKey is MPWMDULTESCZHX-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H23NO6/c1-20-13(17)8-6-11(14(18)19)15-12(16)7-5-10-4-2-3-9-21-10/h10-11H,2-9H2,1H3,(H,15,16)(H,18,19)/t10?,11-/m1/s1.
What are the key properties of (2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid?
(2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid has a molecular weight of 301.34 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107820646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).