(2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid

C12H20N4O5 — CID 107828878

IUPAC(2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
SMILESNC(=O)C[C@@H](NC(=O)NCCC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C12H20N4O5/c13-9(17)7-8(11(19)20)15-12(21)14-4-3-10(18)16-5-1-2-6-16/h8H,1-7H2,(H2,13,17)(H,19,20)(H2,14,15,21)/t8-/m1/s1
InChIKeyQZMVDAFXJKXIHS-MRVPVSSYSA-N
MW300.31 g/mol
LogP-1.37
Rot. Bonds7

About (2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid

(2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid (PubChem CID 107828878) has the molecular formula C12H20N4O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
PubChem CID107828878
Molecular FormulaC12H20N4O5
Molecular Weight300.31 g/mol
Exact Mass300.14
IUPAC Name(2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
SMILESNC(=O)C[C@@H](NC(=O)NCCC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C12H20N4O5/c13-9(17)7-8(11(19)20)15-12(21)14-4-3-10(18)16-5-1-2-6-16/h8H,1-7H2,(H2,13,17)(H,19,20)(H2,14,15,21)/t8-/m1/s1
InChIKeyQZMVDAFXJKXIHS-MRVPVSSYSA-N
XLogP-1.37
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid with MolForge

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Related Compounds

(2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103994413
(2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103996387
(2S)-4-amino-4-oxo-2-(piperidine-1-carbonylamino)butanoic acid
CID 63716218
(2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826694
2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide
CID 61248901
4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid
CID 61205396
(2S)-2-hydroxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
CID 107840944
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(2S)-3-methylbutan-2-yl]urea
CID 94820370
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
3-hydroxy-2-[(2-oxo-2-piperidin-1-ylethyl)carbamoylamino]propanoic acid
CID 113406386
4-amino-2-(2-methylsulfanylethylcarbamoylamino)-4-oxobutanoic acid
CID 63957476

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid (CID 107828878) is (2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid is NC(=O)C[C@@H](NC(=O)NCCC(=O)N1CCCC1)C(=O)O.
What is the InChIKey of (2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid?
The InChIKey is QZMVDAFXJKXIHS-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H20N4O5/c13-9(17)7-8(11(19)20)15-12(21)14-4-3-10(18)16-5-1-2-6-16/h8H,1-7H2,(H2,13,17)(H,19,20)(H2,14,15,21)/t8-/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid?
(2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid has a molecular weight of 300.31 g/mol, XLogP of -1.37, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 107828878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).