2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid

C12H20N2O5 — CID 113418333

IUPAC2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid
SMILESCCCC1CCN(C(=O)N(CC(=O)O)CC(=O)O)C1
InChIInChI=1S/C12H20N2O5/c1-2-3-9-4-5-13(6-9)12(19)14(7-10(15)16)8-11(17)18/h9H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyCBBLVXXGDQACLZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.70
Rot. Bonds6

About 2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid

2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid (PubChem CID 113418333) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid
PubChem CID113418333
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid
SMILESCCCC1CCN(C(=O)N(CC(=O)O)CC(=O)O)C1
InChIInChI=1S/C12H20N2O5/c1-2-3-9-4-5-13(6-9)12(19)14(7-10(15)16)8-11(17)18/h9H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyCBBLVXXGDQACLZ-UHFFFAOYSA-N
XLogP0.70
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 107228199
2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid
CID 112626900
2-[cyclopropyl-(4-propylpiperidine-1-carbonyl)amino]acetic acid
CID 62206678
2-[(3-hydroxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 62944013
2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 61195912
2-methyl-3-oxo-3-(3-propylpyrrolidin-1-yl)propanoic acid
CID 114898961
2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid
CID 54986151
2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 63548318
2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63064381
azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone
CID 116657830
2-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190974
2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 115730377

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid (CID 113418333) is 2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid is CCCC1CCN(C(=O)N(CC(=O)O)CC(=O)O)C1.
What is the InChIKey of 2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid?
The InChIKey is CBBLVXXGDQACLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-2-3-9-4-5-13(6-9)12(19)14(7-10(15)16)8-11(17)18/h9H,2-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid?
2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 113418333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).