5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid

C12H22N4O4 — CID 61408490

IUPAC5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(C(=O)NC(CCC(N)=O)C(=O)O)C1CCNCC1
InChIInChI=1S/C12H22N4O4/c1-16(8-4-6-14-7-5-8)12(20)15-9(11(18)19)2-3-10(13)17/h8-9,14H,2-7H2,1H3,(H2,13,17)(H,15,20)(H,18,19)
InChIKeyWKYFGHJKQAGUTB-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.90
Rot. Bonds6

About 5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid

5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 61408490) has the molecular formula C12H22N4O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID61408490
Molecular FormulaC12H22N4O4
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Name5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(C(=O)NC(CCC(N)=O)C(=O)O)C1CCNCC1
InChIInChI=1S/C12H22N4O4/c1-16(8-4-6-14-7-5-8)12(20)15-9(11(18)19)2-3-10(13)17/h8-9,14H,2-7H2,1H3,(H2,13,17)(H,15,20)(H,18,19)
InChIKeyWKYFGHJKQAGUTB-UHFFFAOYSA-N
XLogP-0.90
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-[[cyclopentyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61195271
5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61201089
4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61408256
(2R)-5-amino-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830602
5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 61198358
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163
(2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 61160975
(2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909881
(2R)-5-amino-2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830743
(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107143266
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid
CID 61408349

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid (CID 61408490) is 5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid is CN(C(=O)NC(CCC(N)=O)C(=O)O)C1CCNCC1.
What is the InChIKey of 5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is WKYFGHJKQAGUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4/c1-16(8-4-6-14-7-5-8)12(20)15-9(11(18)19)2-3-10(13)17/h8-9,14H,2-7H2,1H3,(H2,13,17)(H,15,20)(H,18,19).
What are the key properties of 5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid?
5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 286.33 g/mol, XLogP of -0.90, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 61408490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).