1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid

C13H23N3O4 — CID 103239210

IUPAC1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESCC(C)NC(=O)CNCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-9(2)15-11(17)7-14-8-12(18)16-5-3-10(4-6-16)13(19)20/h9-10,14H,3-8H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyRULYESFJYGEXMK-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.58
Rot. Bonds6

About 1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid

1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 103239210) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
PubChem CID103239210
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESCC(C)NC(=O)CNCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-9(2)15-11(17)7-14-8-12(18)16-5-3-10(4-6-16)13(19)20/h9-10,14H,3-8H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyRULYESFJYGEXMK-UHFFFAOYSA-N
XLogP-0.58
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103237505
2-[(2-oxo-2-piperidin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 43402015
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
1-[2-[(2-methoxy-2-oxoethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103231226
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 103244498
1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid
CID 79279797
1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-3-carboxylic acid
CID 119355189
1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103261509
1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103244738
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid
CID 103237166

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid (CID 103239210) is 1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid is CC(C)NC(=O)CNCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is RULYESFJYGEXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(2)15-11(17)7-14-8-12(18)16-5-3-10(4-6-16)13(19)20/h9-10,14H,3-8H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103239210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).