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

C8H14N2O3 — CID 61158017

IUPAC2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C8H14N2O3/c1-10(5-7(11)12)8(13)6-3-2-4-9-6/h6,9H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyAPRIEMRKPDQWTO-LURJTMIESA-N
MW186.21 g/mol
LogP-0.72
Rot. Bonds3

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

2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 61158017) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID61158017
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C8H14N2O3/c1-10(5-7(11)12)8(13)6-3-2-4-9-6/h6,9H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyAPRIEMRKPDQWTO-LURJTMIESA-N
XLogP-0.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid (CID 61158017) is 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid is CN(CC(=O)O)C(=O)[C@@H]1CCCN1.
What is the InChIKey of 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is APRIEMRKPDQWTO-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O3/c1-10(5-7(11)12)8(13)6-3-2-4-9-6/h6,9H,2-5H2,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid?
2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 186.21 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 61158017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).