1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid

C12H21N3O4 — CID 114085230

IUPAC1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid
SMILESCC1(C)CCCN(C(=O)NCCC(N)=O)C1C(=O)O
InChIInChI=1S/C12H21N3O4/c1-12(2)5-3-7-15(9(12)10(17)18)11(19)14-6-4-8(13)16/h9H,3-7H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyIKWLMAGJJHMTOZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.15
Rot. Bonds4

About 1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid

1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid (PubChem CID 114085230) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid
PubChem CID114085230
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid
SMILESCC1(C)CCCN(C(=O)NCCC(N)=O)C1C(=O)O
InChIInChI=1S/C12H21N3O4/c1-12(2)5-3-7-15(9(12)10(17)18)11(19)14-6-4-8(13)16/h9H,3-7H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyIKWLMAGJJHMTOZ-UHFFFAOYSA-N
XLogP0.15
TPSA112.73 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 ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 106215867
3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 114085275
1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085633
1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597930
1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide
CID 10728317
3,3-dimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106283369
1-[(3-amino-3-oxopropyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126588
1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032084
3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
CID 114085090
1-[(3-amino-3-oxopropyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149101
4-[[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122022432
2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762583

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid (CID 114085230) is 1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid is CC1(C)CCCN(C(=O)NCCC(N)=O)C1C(=O)O.
What is the InChIKey of 1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid?
The InChIKey is IKWLMAGJJHMTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-12(2)5-3-7-15(9(12)10(17)18)11(19)14-6-4-8(13)16/h9H,3-7H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid?
1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114085230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).