2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid

C11H20N2O4 — CID 65065595

IUPAC2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
SMILESCC(C)N1CCC(N(CC(=O)O)CC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-8(2)12-4-3-9(5-12)13(6-10(14)15)7-11(16)17/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFBRCUQCYQGAMHQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.06
Rot. Bonds6

About 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid

2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid (PubChem CID 65065595) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
PubChem CID65065595
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
SMILESCC(C)N1CCC(N(CC(=O)O)CC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-8(2)12-4-3-9(5-12)13(6-10(14)15)7-11(16)17/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFBRCUQCYQGAMHQ-UHFFFAOYSA-N
XLogP-0.06
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)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-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
CID 65057099
2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid
CID 65076862
3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 65056765
2-[2-methylpropyl-(1-methylpyrrolidin-3-yl)amino]acetic acid
CID 65063911
4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid
CID 65058588
3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid
CID 65059244
3-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 79413831
2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid
CID 65063962
N,N,1-tri(propan-2-yl)pyrrolidin-3-amine
CID 163258645
2-[(1-methylpyrrolidin-3-yl)-propylamino]acetic acid
CID 65065282
2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide
CID 167014220
2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid
CID 63064056

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid (CID 65065595) is 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid is CC(C)N1CCC(N(CC(=O)O)CC(=O)O)C1.
What is the InChIKey of 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid?
The InChIKey is FBRCUQCYQGAMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(2)12-4-3-9(5-12)13(6-10(14)15)7-11(16)17/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid?
2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid has a molecular weight of 244.29 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid is sourced from PubChem (CID 65065595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).