(2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid

C14H24N2O5 — CID 107039349

IUPAC(2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCCOC(=O)CC[C@H](NC(=O)N1CCC(C)CC1)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-3-21-12(17)5-4-11(13(18)19)15-14(20)16-8-6-10(2)7-9-16/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t11-/m0/s1
InChIKeyZSOSUWVJXGEWON-NSHDSACASA-N
MW300.36 g/mol
LogP1.22
Rot. Bonds6

About (2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid

(2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 107039349) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID107039349
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCCOC(=O)CC[C@H](NC(=O)N1CCC(C)CC1)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-3-21-12(17)5-4-11(13(18)19)15-14(20)16-8-6-10(2)7-9-16/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t11-/m0/s1
InChIKeyZSOSUWVJXGEWON-NSHDSACASA-N
XLogP1.22
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 82787410
5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61188573
(2S)-5-methoxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107826487
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 80750387
3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188214
(2R)-4-hydroxy-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 114005640
(2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid
CID 107039185
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107826001
(2R)-5-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107829496
5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197274
(2S)-5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197661

Frequently Asked Questions

What is the IUPAC name of (2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid (CID 107039349) is (2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid is CCOC(=O)CC[C@H](NC(=O)N1CCC(C)CC1)C(=O)O.
What is the InChIKey of (2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is ZSOSUWVJXGEWON-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O5/c1-3-21-12(17)5-4-11(13(18)19)15-14(20)16-8-6-10(2)7-9-16/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
(2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107039349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).