2-[2-(carboxymethyl)pyrrolidin-3-yl]acetic acid

C8H13NO4 — CID 21110352

IUPAC2-[2-(carboxymethyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCNC1CC(=O)O
InChIInChI=1S/C8H13NO4/c10-7(11)3-5-1-2-9-6(5)4-8(12)13/h5-6,9H,1-4H2,(H,10,11)(H,12,13)
InChIKeyNLVFGKGXMWSUJL-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.09
Rot. Bonds4

About 2-[2-(carboxymethyl)pyrrolidin-3-yl]acetic acid

2-[2-(carboxymethyl)pyrrolidin-3-yl]acetic acid (PubChem CID 21110352) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[2-(carboxymethyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(carboxymethyl)pyrrolidin-3-yl]acetic acid
PubChem CID21110352
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[2-(carboxymethyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCNC1CC(=O)O
InChIInChI=1S/C8H13NO4/c10-7(11)3-5-1-2-9-6(5)4-8(12)13/h5-6,9H,1-4H2,(H,10,11)(H,12,13)
InChIKeyNLVFGKGXMWSUJL-UHFFFAOYSA-N
XLogP-0.09
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[2-(carboxymethyl)pyrrolidin-3-yl]acetic acid (CID 21110352) is 2-[2-(carboxymethyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(carboxymethyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[2-(carboxymethyl)pyrrolidin-3-yl]acetic acid is O=C(O)CC1CCNC1CC(=O)O.
What is the InChIKey of 2-[2-(carboxymethyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is NLVFGKGXMWSUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c10-7(11)3-5-1-2-9-6(5)4-8(12)13/h5-6,9H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of 2-[2-(carboxymethyl)pyrrolidin-3-yl]acetic acid?
2-[2-(carboxymethyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 187.19 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 21110352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).