1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid

C12H21N3O4 — CID 114431702

IUPAC1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(C)C(=O)NC(N)=O)C(C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c1-3-8-4-5-15(9(6-8)11(17)18)7(2)10(16)14-12(13)19/h7-9H,3-6H2,1-2H3,(H,17,18)(H3,13,14,16,19)
InChIKeyDEXSPHDNKZPJSK-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.14
Rot. Bonds4

About 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid

1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114431702) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid
PubChem CID114431702
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(C)C(=O)NC(N)=O)C(C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c1-3-8-4-5-15(9(6-8)11(17)18)7(2)10(16)14-12(13)19/h7-9H,3-6H2,1-2H3,(H,17,18)(H3,13,14,16,19)
InChIKeyDEXSPHDNKZPJSK-UHFFFAOYSA-N
XLogP0.14
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid
CID 114430684
4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid
CID 114431840
1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 106346727
1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430556
ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78912886
4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
CID 114430632
3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid
CID 62216175
N-carbamoyl-2-[4-(ethylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119928173
4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid
CID 114430884
N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 79028212
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide
CID 112630191
4-ethyl-1-(4-methylsulfinylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 114430547

Frequently Asked Questions

What is the IUPAC name of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid (CID 114431702) is 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(C(C)C(=O)NC(N)=O)C(C(=O)O)C1.
What is the InChIKey of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is DEXSPHDNKZPJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-8-4-5-15(9(6-8)11(17)18)7(2)10(16)14-12(13)19/h7-9H,3-6H2,1-2H3,(H,17,18)(H3,13,14,16,19).
What are the key properties of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid?
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114431702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).