2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid

C15H29N3O3 — CID 63066698

IUPAC2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C15H29N3O3/c1-12(2)9-18(11-14(19)20)15(21)16-8-13(3)10-17-6-4-5-7-17/h12-13H,4-11H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyJEJLNPVKNALHJI-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.47
Rot. Bonds8

About 2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid

2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid (PubChem CID 63066698) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid
PubChem CID63066698
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C15H29N3O3/c1-12(2)9-18(11-14(19)20)15(21)16-8-13(3)10-17-6-4-5-7-17/h12-13H,4-11H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyJEJLNPVKNALHJI-UHFFFAOYSA-N
XLogP1.47
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]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

N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 107438309
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 62992796
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069914
3-amino-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoic acid
CID 64897097
methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate
CID 112617205
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
2-methoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61061515
3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid
CID 65226844
4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid
CID 64890132
3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid
CID 81067259

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid (CID 63066698) is 2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)NCC(C)CN1CCCC1.
What is the InChIKey of 2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid?
The InChIKey is JEJLNPVKNALHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-12(2)9-18(11-14(19)20)15(21)16-8-13(3)10-17-6-4-5-7-17/h12-13H,4-11H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid?
2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid has a molecular weight of 299.42 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63066698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).