(2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid

C14H24N2O5 — CID 107824344

IUPAC(2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)CCC1CCCNC1)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-21-13(18)7-5-11(14(19)20)16-12(17)6-4-10-3-2-8-15-9-10/h10-11,15H,2-9H2,1H3,(H,16,17)(H,19,20)/t10?,11-/m0/s1
InChIKeyNCZKPSPJDLMOFP-DTIOYNMSSA-N
MW300.36 g/mol
LogP0.29
Rot. Bonds8

About (2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid

(2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid (PubChem CID 107824344) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
PubChem CID107824344
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)CCC1CCCNC1)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-21-13(18)7-5-11(14(19)20)16-12(17)6-4-10-3-2-8-15-9-10/h10-11,15H,2-9H2,1H3,(H,16,17)(H,19,20)/t10?,11-/m0/s1
InChIKeyNCZKPSPJDLMOFP-DTIOYNMSSA-N
XLogP0.29
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824462
5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 81078555
3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 81078722
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid
CID 62676165
5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 82786150
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134
N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide
CID 83176255
(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824278
(2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid
CID 107820646
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572
N-[(1R)-1-cyclopentylethyl]-3-piperidin-3-ylpropanamide
CID 81390288

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid?
The IUPAC name of (2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid (CID 107824344) is (2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid?
The canonical SMILES for (2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid is COC(=O)CC[C@H](NC(=O)CCC1CCCNC1)C(=O)O.
What is the InChIKey of (2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid?
The InChIKey is NCZKPSPJDLMOFP-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-21-13(18)7-5-11(14(19)20)16-12(17)6-4-10-3-2-8-15-9-10/h10-11,15H,2-9H2,1H3,(H,16,17)(H,19,20)/t10?,11-/m0/s1.
What are the key properties of (2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid?
(2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 0.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid is sourced from PubChem (CID 107824344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).