1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

C13H23N3O3 — CID 54907006

IUPAC1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC(C(N)=O)N1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C13H23N3O3/c1-9(12(14)17)15-7-4-10(5-8-15)16-6-2-3-11(16)13(18)19/h9-11H,2-8H2,1H3,(H2,14,17)(H,18,19)
InChIKeyNMTKXFCAKMDWDR-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.13
Rot. Bonds4

About 1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 54907006) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID54907006
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC(C(N)=O)N1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C13H23N3O3/c1-9(12(14)17)15-7-4-10(5-8-15)16-6-2-3-11(16)13(18)19/h9-11H,2-8H2,1H3,(H2,14,17)(H,18,19)
InChIKeyNMTKXFCAKMDWDR-UHFFFAOYSA-N
XLogP-0.13
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 65056479
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
1-(1-propan-2-ylpyrrolidin-3-yl)azepane-2-carboxylic acid
CID 65069569
1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61195156
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612
1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61159988
1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 80542423
(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid
CID 68690983
(2S)-1-(4,4-dimethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 110838436

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 54907006) is 1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is CC(C(N)=O)N1CCC(N2CCCC2C(=O)O)CC1.
What is the InChIKey of 1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is NMTKXFCAKMDWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9(12(14)17)15-7-4-10(5-8-15)16-6-2-3-11(16)13(18)19/h9-11H,2-8H2,1H3,(H2,14,17)(H,18,19).
What are the key properties of 1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54907006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).