2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid

C9H16N2O3 — CID 96553108

IUPAC2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid
SMILESCC(=O)N1CCC[C@@H]1CNCC(=O)O
InChIInChI=1S/C9H16N2O3/c1-7(12)11-4-2-3-8(11)5-10-6-9(13)14/h8,10H,2-6H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyTUWGYEMNBIILPE-MRVPVSSYSA-N
MW200.24 g/mol
LogP-0.33
Rot. Bonds4

About 2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid

2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid (PubChem CID 96553108) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid
PubChem CID96553108
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid
SMILESCC(=O)N1CCC[C@@H]1CNCC(=O)O
InChIInChI=1S/C9H16N2O3/c1-7(12)11-4-2-3-8(11)5-10-6-9(13)14/h8,10H,2-6H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyTUWGYEMNBIILPE-MRVPVSSYSA-N
XLogP-0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 90723463
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
2-(1-acetylpyrrolidin-2-yl)acetamide
CID 127011222
N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide
CID 143059695
(2R)-2-[[[(2S)-1-(carboxymethylamino)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 57289195
4-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methylbut-2-enoic acid
CID 103236006
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370184
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
2-[(1-acetylpyrrolidin-2-yl)methyl-propan-2-ylamino]acetic acid
CID 66565397
2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid
CID 106813990

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid?
The IUPAC name of 2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid (CID 96553108) is 2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid is CC(=O)N1CCC[C@@H]1CNCC(=O)O.
What is the InChIKey of 2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid?
The InChIKey is TUWGYEMNBIILPE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(12)11-4-2-3-8(11)5-10-6-9(13)14/h8,10H,2-6H2,1H3,(H,13,14)/t8-/m1/s1.
What are the key properties of 2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid?
2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid has a molecular weight of 200.24 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid is sourced from PubChem (CID 96553108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).