(2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid

C10H17N3O4 — CID 104940138

IUPAC(2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
SMILESC=C(C)CNC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O4/c1-6(2)5-12-10(17)13-7(9(15)16)3-4-8(11)14/h7H,1,3-5H2,2H3,(H2,11,14)(H,15,16)(H2,12,13,17)/t7-/m0/s1
InChIKeyTZJHUXYMVWSTPR-ZETCQYMHSA-N
MW243.26 g/mol
LogP-0.42
Rot. Bonds7

About (2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid

(2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 104940138) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
PubChem CID104940138
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name(2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
SMILESC=C(C)CNC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O4/c1-6(2)5-12-10(17)13-7(9(15)16)3-4-8(11)14/h7H,1,3-5H2,2H3,(H2,11,14)(H,15,16)(H2,12,13,17)/t7-/m0/s1
InChIKeyTZJHUXYMVWSTPR-ZETCQYMHSA-N
XLogP-0.42
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 114618020
(2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 107831097
5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid
CID 142578734
4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid
CID 114618138
(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid
CID 61209238
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
(2R)-5-amino-2-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107831129
5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
CID 103995818
(2R)-5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
CID 114006135
5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid
CID 103995632
(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107830441
(2S)-2-(2-methylprop-2-enylcarbamoylamino)-4-phenylbutanoic acid
CID 104983666

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid (CID 104940138) is (2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid is C=C(C)CNC(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is TZJHUXYMVWSTPR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-6(2)5-12-10(17)13-7(9(15)16)3-4-8(11)14/h7H,1,3-5H2,2H3,(H2,11,14)(H,15,16)(H2,12,13,17)/t7-/m0/s1.
What are the key properties of (2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid?
(2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 243.26 g/mol, XLogP of -0.42, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 104940138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).