5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid

C12H21N3O5 — CID 61197274

IUPAC5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC1CCN(C(=O)NC(CCC(N)=O)C(=O)O)CC1
InChIInChI=1S/C12H21N3O5/c1-20-8-4-6-15(7-5-8)12(19)14-9(11(17)18)2-3-10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyWBFQRHZWWSDOGL-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.47
Rot. Bonds6

About 5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid

5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 61197274) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID61197274
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC1CCN(C(=O)NC(CCC(N)=O)C(=O)O)CC1
InChIInChI=1S/C12H21N3O5/c1-20-8-4-6-15(7-5-8)12(19)14-9(11(17)18)2-3-10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyWBFQRHZWWSDOGL-UHFFFAOYSA-N
XLogP-0.47
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2S)-5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197661
(2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 102962992
5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61188573
(2S)-5-amino-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63979419
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 103082201
(2R)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 107830532
(2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 61196853
(2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61403013
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61197467
3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid
CID 81084937
(2R)-5-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107829496
2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61199167

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid (CID 61197274) is 5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid is COC1CCN(C(=O)NC(CCC(N)=O)C(=O)O)CC1.
What is the InChIKey of 5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is WBFQRHZWWSDOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-20-8-4-6-15(7-5-8)12(19)14-9(11(17)18)2-3-10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 287.32 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 61197274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).