(2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid

C13H20N2O5 — CID 107828637

IUPAC(2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESC=CCN(C(=O)N[C@H](CCC(=O)OC)C(=O)O)C1CC1
InChIInChI=1S/C13H20N2O5/c1-3-8-15(9-4-5-9)13(19)14-10(12(17)18)6-7-11(16)20-2/h3,9-10H,1,4-8H2,2H3,(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeyTZGGUGUQOPZRPU-SNVBAGLBSA-N
MW284.31 g/mol
LogP0.75
Rot. Bonds8

About (2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107828637) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
PubChem CID107828637
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name(2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESC=CCN(C(=O)N[C@H](CCC(=O)OC)C(=O)O)C1CC1
InChIInChI=1S/C13H20N2O5/c1-3-8-15(9-4-5-9)13(19)14-10(12(17)18)6-7-11(16)20-2/h3,9-10H,1,4-8H2,2H3,(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeyTZGGUGUQOPZRPU-SNVBAGLBSA-N
XLogP0.75
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid
CID 107828628
(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107143266
(2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107826352
(2R)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107827644
(2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107827078
2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
CID 61196558
(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824278
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572
(2S)-2-(1-cyclopropylpropan-2-ylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107827918
(2S)-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305201
(2R)-5-amino-2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830743
(2R)-2-[[cyclopropylmethyl(prop-2-ynyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107828602

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid (CID 107828637) is (2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid is C=CCN(C(=O)N[C@H](CCC(=O)OC)C(=O)O)C1CC1.
What is the InChIKey of (2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is TZGGUGUQOPZRPU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-3-8-15(9-4-5-9)13(19)14-10(12(17)18)6-7-11(16)20-2/h3,9-10H,1,4-8H2,2H3,(H,14,19)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 284.31 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107828637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).