2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetic acid

C8H14N2O3 — CID 118104156

IUPAC2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetic acid
SMILESCN1CCC[C@H]1C(=O)NCC(=O)O
InChIInChI=1S/C8H14N2O3/c1-10-4-2-3-6(10)8(13)9-5-7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12)/t6-/m0/s1
InChIKeyWLPBCPQYDHLZCU-LURJTMIESA-N
MW186.21 g/mol
LogP-0.72
Rot. Bonds3

About 2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetic acid

2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 118104156) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID118104156
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetic acid
SMILESCN1CCC[C@H]1C(=O)NCC(=O)O
InChIInChI=1S/C8H14N2O3/c1-10-4-2-3-6(10)8(13)9-5-7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12)/t6-/m0/s1
InChIKeyWLPBCPQYDHLZCU-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-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetic acid (CID 118104156) is 2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetic acid is CN1CCC[C@H]1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is WLPBCPQYDHLZCU-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O3/c1-10-4-2-3-6(10)8(13)9-5-7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12)/t6-/m0/s1.
What are the key properties of 2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetic acid?
2-[[(2S)-1-methylpyrrolidine-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-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 118104156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).