(2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid

C10H16N2O6 — CID 58677319

IUPAC(2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid
SMILESCOC[C@@H](C(=O)O)N1CC[C@H](NC(=O)OC)C1=O
InChIInChI=1S/C10H16N2O6/c1-17-5-7(9(14)15)12-4-3-6(8(12)13)11-10(16)18-2/h6-7H,3-5H2,1-2H3,(H,11,16)(H,14,15)/t6-,7-/m0/s1
InChIKeyKNMKJXIPERVFAB-BQBZGAKWSA-N
MW260.25 g/mol
LogP-0.96
Rot. Bonds5

About (2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid

(2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid (PubChem CID 58677319) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid
PubChem CID58677319
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name(2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid
SMILESCOC[C@@H](C(=O)O)N1CC[C@H](NC(=O)OC)C1=O
InChIInChI=1S/C10H16N2O6/c1-17-5-7(9(14)15)12-4-3-6(8(12)13)11-10(16)18-2/h6-7H,3-5H2,1-2H3,(H,11,16)(H,14,15)/t6-,7-/m0/s1
InChIKeyKNMKJXIPERVFAB-BQBZGAKWSA-N
XLogP-0.96
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ala-Pro-Ser
CID 10308217
l-Pyroglutamyl-l-serine methyl ester
CID 12042452
methyl 2-[[(2S)-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]acetate
CID 16082435
methyl (2S)-2-[[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]amino]propanoate
CID 16082436
Acetyl l-alanyl-l-serine methyl ester
CID 129707307
3-[2-(Ethylamino)acetyl]-1,3-oxazolidine-4-carboxylic acid
CID 9859060
(S)-2-((R)-3-((Tert-butoxycarbonyl)amino)-2-oxopyrrolidin-1-YL)propanoic acid
CID 9965309
3-[2-(Ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid
CID 10199050
methyl (2S,3R)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxybutanoate
CID 13854605
[2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]oxy-3-carboxypropyl]-trimethylazanium
CID 18392229
2-[3-[(2-Methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]propanoic acid
CID 18616078
Methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate
CID 21311670

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid?
The IUPAC name of (2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid (CID 58677319) is (2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for (2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid?
The canonical SMILES for (2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid is COC[C@@H](C(=O)O)N1CC[C@H](NC(=O)OC)C1=O.
What is the InChIKey of (2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid?
The InChIKey is KNMKJXIPERVFAB-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-17-5-7(9(14)15)12-4-3-6(8(12)13)11-10(16)18-2/h6-7H,3-5H2,1-2H3,(H,11,16)(H,14,15)/t6-,7-/m0/s1.
What are the key properties of (2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid?
(2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid has a molecular weight of 260.25 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 58677319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).