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

C14H25N3O4 — CID 63065974

IUPAC2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCNC(=O)C1CCCCN1C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C14H25N3O4/c1-10(2)8-16(9-12(18)19)14(21)17-7-5-4-6-11(17)13(20)15-3/h10-11H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyLCRRYJRLQODSGZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.75
Rot. Bonds5

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

2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63065974) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
PubChem CID63065974
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCNC(=O)C1CCCCN1C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C14H25N3O4/c1-10(2)8-16(9-12(18)19)14(21)17-7-5-4-6-11(17)13(20)15-3/h10-11H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyLCRRYJRLQODSGZ-UHFFFAOYSA-N
XLogP0.75
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)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-[[2-(hydroxymethyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63065796
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 102727473
2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid
CID 63645478
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide
CID 60949285
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 104774718
4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 82014862
1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide
CID 79013406
1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]azepane-2-carboxylic acid
CID 64562539
2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid
CID 60948393

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid (CID 63065974) is 2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid is CNC(=O)C1CCCCN1C(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is LCRRYJRLQODSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-10(2)8-16(9-12(18)19)14(21)17-7-5-4-6-11(17)13(20)15-3/h10-11H,4-9H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).