(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid

C11H19N3O4 — CID 81120052

IUPAC(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCNC(=O)C(C)NC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-7(9(15)12-2)13-11(18)14-5-3-4-8(6-14)10(16)17/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)/t7?,8-/m1/s1
InChIKeyNZMWSCNYOAOORH-BRFYHDHCSA-N
MW257.29 g/mol
LogP-0.37
Rot. Bonds3

About (3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120052) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID81120052
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCNC(=O)C(C)NC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-7(9(15)12-2)13-11(18)14-5-3-4-8(6-14)10(16)17/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)/t7?,8-/m1/s1
InChIKeyNZMWSCNYOAOORH-BRFYHDHCSA-N
XLogP-0.37
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120309
1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43533691
(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120508
(3R)-1-(but-3-yn-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104921713
(3S)-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104863169
(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125514
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 94798800
(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104861496
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 43355771
(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125361

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid (CID 81120052) is (3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid is CNC(=O)C(C)NC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is NZMWSCNYOAOORH-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(9(15)12-2)13-11(18)14-5-3-4-8(6-14)10(16)17/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)/t7?,8-/m1/s1.
What are the key properties of (3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).