3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid

C20H26N2O5 — CID 125152528

IUPAC3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid
SMILESO=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C20H26N2O5/c23-18-7-2-9-21(18)13-15-4-1-5-16(12-15)20(26)22(10-8-19(24)25)14-17-6-3-11-27-17/h1,4-5,12,17H,2-3,6-11,13-14H2,(H,24,25)/t17-/m1/s1
InChIKeyPCMVIHYZDCDECW-QGZVFWFLSA-N
MW374.44 g/mol
LogP1.90
Rot. Bonds8

About 3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid

3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid (PubChem CID 125152528) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid
PubChem CID125152528
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid
SMILESO=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C20H26N2O5/c23-18-7-2-9-21(18)13-15-4-1-5-16(12-15)20(26)22(10-8-19(24)25)14-17-6-3-11-27-17/h1,4-5,12,17H,2-3,6-11,13-14H2,(H,24,25)/t17-/m1/s1
InChIKeyPCMVIHYZDCDECW-QGZVFWFLSA-N
XLogP1.90
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid with MolForge

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Related Compounds

3-[(3-fluorobenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 95540081
3-[(3,4-dimethoxybenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209792
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 110003976
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
3-[(6-methylpyridine-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124698719
N-cyclopropyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 55581710
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 17474559
3-[(3,5-dimethoxy-4-methylbenzoyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154089
3-[[1-(2-methylphenyl)pyrazole-4-carbonyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124697276

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid (CID 125152528) is 3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid is O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cccc(CN2CCCC2=O)c1.
What is the InChIKey of 3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid?
The InChIKey is PCMVIHYZDCDECW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N2O5/c23-18-7-2-9-21(18)13-15-4-1-5-16(12-15)20(26)22(10-8-19(24)25)14-17-6-3-11-27-17/h1,4-5,12,17H,2-3,6-11,13-14H2,(H,24,25)/t17-/m1/s1.
What are the key properties of 3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid?
3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid has a molecular weight of 374.44 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 125152528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).