3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid

C11H20N2O3 — CID 107530300

IUPAC3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)CC1CCC(=O)N1
InChIInChI=1S/C11H20N2O3/c1-8(2)13(6-5-11(15)16)7-9-3-4-10(14)12-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyXVFHYHSOFNUKRC-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds6

About 3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid

3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid (PubChem CID 107530300) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid
PubChem CID107530300
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)CC1CCC(=O)N1
InChIInChI=1S/C11H20N2O3/c1-8(2)13(6-5-11(15)16)7-9-3-4-10(14)12-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyXVFHYHSOFNUKRC-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid
CID 107530324
3-[4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]anilino]propanoic acid
CID 107530294
2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid
CID 107530443
(5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one
CID 95136036
2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid
CID 107530306
(5S)-5-(3-oxobutyl)pyrrolidin-2-one
CID 174305223
N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide
CID 124757415
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 66364191
2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid
CID 103498544
4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid
CID 60835383
4-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide
CID 79192403
1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea
CID 138045164

Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid (CID 107530300) is 3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)CC1CCC(=O)N1.
What is the InChIKey of 3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid?
The InChIKey is XVFHYHSOFNUKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)13(6-5-11(15)16)7-9-3-4-10(14)12-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid?
3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 107530300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).