2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid

C11H21N3O3 — CID 63209066

IUPAC2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
SMILESCC(NC(=O)N(C)CCN1CCCC1)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-9(10(15)16)12-11(17)13(2)7-8-14-5-3-4-6-14/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyLVXFBNPTCMBIMW-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.20
Rot. Bonds5

About 2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid

2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid (PubChem CID 63209066) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
PubChem CID63209066
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
SMILESCC(NC(=O)N(C)CCN1CCCC1)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-9(10(15)16)12-11(17)13(2)7-8-14-5-3-4-6-14/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyLVXFBNPTCMBIMW-UHFFFAOYSA-N
XLogP0.20
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]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

(2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830862
(2S)-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 78971244
1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
CID 110752196
2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79800918
3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 113408721
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid
CID 78973916
2-(2-piperidin-1-ylethylamino)propanoic acid
CID 43467348
3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one
CID 79395842
1-[2-(azepan-1-yl)ethyl]-1-methyl-3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 122570318
2-methyl-3-[methyl(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 55007380
(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 78972686

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid (CID 63209066) is 2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid is CC(NC(=O)N(C)CCN1CCCC1)C(=O)O.
What is the InChIKey of 2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid?
The InChIKey is LVXFBNPTCMBIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-9(10(15)16)12-11(17)13(2)7-8-14-5-3-4-6-14/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid?
2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 63209066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).