5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid

C12H21N3O4 — CID 113363508

IUPAC5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(CNC(=O)NC(CCC(N)=O)C(=O)O)C1CC1
InChIInChI=1S/C12H21N3O4/c1-7(8-2-3-8)6-14-12(19)15-9(11(17)18)4-5-10(13)16/h7-9H,2-6H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeySANSTINURNBJJJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.05
Rot. Bonds8

About 5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid

5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 113363508) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid
PubChem CID113363508
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(CNC(=O)NC(CCC(N)=O)C(=O)O)C1CC1
InChIInChI=1S/C12H21N3O4/c1-7(8-2-3-8)6-14-12(19)15-9(11(17)18)4-5-10(13)16/h7-9H,2-6H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeySANSTINURNBJJJ-UHFFFAOYSA-N
XLogP0.05
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 107830570
(2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid
CID 107831064
(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid
CID 62406706
(2R)-5-amino-2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107830775
5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid
CID 103995632
(2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid
CID 61201562
(2R)-5-amino-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 106021134
(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid
CID 61209238
(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 107831034
(2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 63996158
(2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid
CID 63682389
(2S,3S)-2-(2-cyclopropylpropylcarbamoylamino)-3-methylpentanoic acid
CID 103997545

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid (CID 113363508) is 5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid is CC(CNC(=O)NC(CCC(N)=O)C(=O)O)C1CC1.
What is the InChIKey of 5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is SANSTINURNBJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-7(8-2-3-8)6-14-12(19)15-9(11(17)18)4-5-10(13)16/h7-9H,2-6H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid?
5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.05, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 113363508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).