2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid

C14H27N3O3 — CID 61265357

IUPAC2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
SMILESCC1CCCCN1CCCNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-11-7-4-5-9-17(11)10-6-8-15-13(20)16-14(2,3)12(18)19/h11H,4-10H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeySMBLBLMVUVTGPX-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.41
Rot. Bonds6

About 2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid

2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid (PubChem CID 61265357) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
PubChem CID61265357
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
SMILESCC1CCCCN1CCCNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-11-7-4-5-9-17(11)10-6-8-15-13(20)16-14(2,3)12(18)19/h11H,4-10H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeySMBLBLMVUVTGPX-UHFFFAOYSA-N
XLogP1.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic 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

3-methyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 64701409
2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 115428307
2,2-dimethyl-4-[3-(2-methylpiperidin-1-yl)propylamino]-4-oxobutanoic acid
CID 65297461
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 54991499
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 119834613
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
CID 61148247
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide;dihydrochloride
CID 119834632
tert-butyl N-[3-[3-(2-methylpiperidin-1-yl)propylamino]propyl]carbamate
CID 103821611
2-[[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]methyl]butanoic acid
CID 65219331
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid
CID 107565964

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid (CID 61265357) is 2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid is CC1CCCCN1CCCNC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid?
The InChIKey is SMBLBLMVUVTGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11-7-4-5-9-17(11)10-6-8-15-13(20)16-14(2,3)12(18)19/h11H,4-10H2,1-3H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid?
2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid is sourced from PubChem (CID 61265357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).