2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid

C7H12N2O3 — CID 6426709

IUPAC2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1
InChIKeyRNKSNIBMTUYWSH-YFKPBYRVSA-N
MW172.18 g/mol
LogP-1.06
Rot. Bonds3

About 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid

2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 6426709) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID6426709
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1
InChIKeyRNKSNIBMTUYWSH-YFKPBYRVSA-N
XLogP-1.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid (CID 6426709) is 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)[C@@H]1CCCN1.
What is the InChIKey of 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is RNKSNIBMTUYWSH-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1.
What are the key properties of 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid?
2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 172.18 g/mol, XLogP of -1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 6426709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).