2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid

C10H18N2O4 — CID 81467953

IUPAC2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid
SMILESCC1CC(N(CC(=O)O)CC(=O)O)CN1C
InChIInChI=1S/C10H18N2O4/c1-7-3-8(4-11(7)2)12(5-9(13)14)6-10(15)16/h7-8H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyKRFXRPQSWXGCMI-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.45
Rot. Bonds5

About 2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid

2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid (PubChem CID 81467953) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid
PubChem CID81467953
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid
SMILESCC1CC(N(CC(=O)O)CC(=O)O)CN1C
InChIInChI=1S/C10H18N2O4/c1-7-3-8(4-11(7)2)12(5-9(13)14)6-10(15)16/h7-8H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyKRFXRPQSWXGCMI-UHFFFAOYSA-N
XLogP-0.45
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid (CID 81467953) is 2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid is CC1CC(N(CC(=O)O)CC(=O)O)CN1C.
What is the InChIKey of 2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid?
The InChIKey is KRFXRPQSWXGCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7-3-8(4-11(7)2)12(5-9(13)14)6-10(15)16/h7-8H,3-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid?
2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid is sourced from PubChem (CID 81467953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).