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

C11H19N3O4 — CID 104597930

IUPAC1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)NCCC(N)=O
InChIInChI=1S/C11H19N3O4/c1-11(9(16)17)5-2-3-7-14(11)10(18)13-6-4-8(12)15/h2-7H2,1H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyHUCNMPBHKVUCPO-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.10
Rot. Bonds4

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

1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104597930) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104597930
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)NCCC(N)=O
InChIInChI=1S/C11H19N3O4/c1-11(9(16)17)5-2-3-7-14(11)10(18)13-6-4-8(12)15/h2-7H2,1H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyHUCNMPBHKVUCPO-UHFFFAOYSA-N
XLogP-0.10
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid
CID 104598392
1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 113495111
1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598137
2-methyl-1-(pent-3-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 116644863
1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597783
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431021
2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937
1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid
CID 104594955
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994653
2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113287701

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 104597930) is 1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)NCCC(N)=O.
What is the InChIKey of 1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is HUCNMPBHKVUCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-11(9(16)17)5-2-3-7-14(11)10(18)13-6-4-8(12)15/h2-7H2,1H3,(H2,12,15)(H,13,18)(H,16,17).
What are the key properties of 1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.10, 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]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104597930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).