(2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid

C14H24N2O5 — CID 61155168

IUPAC(2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCOCCN1CC(C(=O)N[C@@H](CC(C)C)C(=O)O)CC1=O
InChIInChI=1S/C14H24N2O5/c1-9(2)6-11(14(19)20)15-13(18)10-7-12(17)16(8-10)4-5-21-3/h9-11H,4-8H2,1-3H3,(H,15,18)(H,19,20)/t10?,11-/m0/s1
InChIKeyHFAOQWIGEVTKAR-DTIOYNMSSA-N
MW300.36 g/mol
LogP0.10
Rot. Bonds8

About (2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid

(2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 61155168) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
PubChem CID61155168
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCOCCN1CC(C(=O)N[C@@H](CC(C)C)C(=O)O)CC1=O
InChIInChI=1S/C14H24N2O5/c1-9(2)6-11(14(19)20)15-13(18)10-7-12(17)16(8-10)4-5-21-3/h9-11H,4-8H2,1-3H3,(H,15,18)(H,19,20)/t10?,11-/m0/s1
InChIKeyHFAOQWIGEVTKAR-DTIOYNMSSA-N
XLogP0.10
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 61153649
(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 92919690
4-amino-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-oxobutanoic acid
CID 43357177
(2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 61152983
2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 43353501
(2S)-2-[[(3R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 125119938
(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 124605830
(2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119361761
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353286
N-(2-hydroxy-4-methylpentyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 103771606
N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 115767487
5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 81076344

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid (CID 61155168) is (2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid is COCCN1CC(C(=O)N[C@@H](CC(C)C)C(=O)O)CC1=O.
What is the InChIKey of (2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is HFAOQWIGEVTKAR-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-9(2)6-11(14(19)20)15-13(18)10-7-12(17)16(8-10)4-5-21-3/h9-11H,4-8H2,1-3H3,(H,15,18)(H,19,20)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
(2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 61155168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).