1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid

C12H21N3O4 — CID 61478723

IUPAC1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCCNC(=O)C(C)NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H21N3O4/c1-3-13-10(16)8(2)14-12(19)15-6-4-9(5-7-15)11(17)18/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyXRXURIXTWNDDSB-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.02
Rot. Bonds4

About 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid

1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 61478723) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID61478723
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCCNC(=O)C(C)NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H21N3O4/c1-3-13-10(16)8(2)14-12(19)15-6-4-9(5-7-15)11(17)18/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyXRXURIXTWNDDSB-UHFFFAOYSA-N
XLogP0.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 43385831
1-(heptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 61465992
tert-butyl 4-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 9470586
4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79531735
2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61478764
1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid
CID 113408030
1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
CID 122000188
1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
CID 113450641
1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 8751751
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 116657686
1-(2-methylpentanoyl)piperidine-4-carboxylic acid
CID 43209769
1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid
CID 62837825

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid (CID 61478723) is 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid is CCNC(=O)C(C)NC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is XRXURIXTWNDDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-13-10(16)8(2)14-12(19)15-6-4-9(5-7-15)11(17)18/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid?
1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 61478723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).