5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid

C12H23N3O5 — CID 82943639

IUPAC5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid
SMILESCCCOCCCNC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-2-7-20-8-3-6-14-12(19)15-9(11(17)18)4-5-10(13)16/h9H,2-8H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeyVRUCEQQJTNAKJV-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.18
Rot. Bonds11

About 5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid

5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid (PubChem CID 82943639) has the molecular formula C12H23N3O5 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid
PubChem CID82943639
Molecular FormulaC12H23N3O5
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid
SMILESCCCOCCCNC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-2-7-20-8-3-6-14-12(19)15-9(11(17)18)4-5-10(13)16/h9H,2-8H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeyVRUCEQQJTNAKJV-UHFFFAOYSA-N
XLogP-0.18
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid
CID 114006057
(2S)-2-(3-propoxypropylcarbamoylamino)pentanedioic acid
CID 82944278
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
(2R)-5-amino-2-(hexylcarbamoylamino)-5-oxopentanoic acid
CID 107830921
(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid
CID 107566288
2-[(5-amino-5-oxopentyl)carbamoylamino]hexanoic acid
CID 106239123
(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107830441
(2S)-5-amino-2-(3-aminopropylcarbamoylamino)-5-oxopentanoic acid
CID 62273655
(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 107831034
(2S)-2-[(3-amino-3-oxopropyl)carbamoylamino]hexanoic acid
CID 107145514
(2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
CID 107830090
(2S)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104203

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid (CID 82943639) is 5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid is CCCOCCCNC(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid?
The InChIKey is VRUCEQQJTNAKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5/c1-2-7-20-8-3-6-14-12(19)15-9(11(17)18)4-5-10(13)16/h9H,2-8H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid?
5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid has a molecular weight of 289.33 g/mol, XLogP of -0.18, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 82943639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).