2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid

C10H17N3O4 — CID 103197217

IUPAC2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid
SMILESCNC(=O)C1CCCN(C(=O)NCC(=O)O)C1
InChIInChI=1S/C10H17N3O4/c1-11-9(16)7-3-2-4-13(6-7)10(17)12-5-8(14)15/h7H,2-6H2,1H3,(H,11,16)(H,12,17)(H,14,15)
InChIKeyUDINVBBOODSDKT-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.76
Rot. Bonds3

About 2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid

2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid (PubChem CID 103197217) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid
PubChem CID103197217
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid
SMILESCNC(=O)C1CCCN(C(=O)NCC(=O)O)C1
InChIInChI=1S/C10H17N3O4/c1-11-9(16)7-3-2-4-13(6-7)10(17)12-5-8(14)15/h7H,2-6H2,1H3,(H,11,16)(H,12,17)(H,14,15)
InChIKeyUDINVBBOODSDKT-UHFFFAOYSA-N
XLogP-0.76
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azocane-1-carbonylamino)acetic acid
CID 43445649
1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 113239797
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 43170581
3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211
(2S,3R)-3-hydroxy-2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 103197172
2,3-dimethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 103194981
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113234306
1-[2-(cyclopropylmethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113266805
(3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 97244690
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid (CID 103197217) is 2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid is CNC(=O)C1CCCN(C(=O)NCC(=O)O)C1.
What is the InChIKey of 2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid?
The InChIKey is UDINVBBOODSDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-11-9(16)7-3-2-4-13(6-7)10(17)12-5-8(14)15/h7H,2-6H2,1H3,(H,11,16)(H,12,17)(H,14,15).
What are the key properties of 2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid?
2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 103197217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).