3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid

C10H19N3O5 — CID 106239007

IUPAC3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)NCCCCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-18-7(9(15)16)6-13-10(17)12-5-3-2-4-8(11)14/h7H,2-6H2,1H3,(H2,11,14)(H,15,16)(H2,12,13,17)
InChIKeyFKJGJIZBTYGTCU-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.96
Rot. Bonds9

About 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid

3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid (PubChem CID 106239007) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid
PubChem CID106239007
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)NCCCCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-18-7(9(15)16)6-13-10(17)12-5-3-2-4-8(11)14/h7H,2-6H2,1H3,(H2,11,14)(H,15,16)(H2,12,13,17)
InChIKeyFKJGJIZBTYGTCU-UHFFFAOYSA-N
XLogP-0.96
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.96
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

2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
CID 106110012
2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid
CID 114144824
2-methoxy-3-(3-sulfamoylpropylcarbamoylamino)propanoic acid
CID 106110030
2-methoxy-3-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]propanoic acid
CID 106110731
4-[(4-amino-4-oxobutyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158686
2-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 106238825
2-methoxy-3-(2-methylsulfinylethylcarbamoylamino)propanoic acid
CID 106110510
3-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106110715
6-(octylcarbamoylamino)hexanamide
CID 11833003
(2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid
CID 106238604
3-[bis(2-amino-2-oxoethyl)carbamoylamino]-2-methoxypropanoic acid
CID 114144690
3-(2-ethylhexylcarbamoylamino)-2-methoxypropanoic acid
CID 106110667

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid (CID 106239007) is 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid is COC(CNC(=O)NCCCCC(N)=O)C(=O)O.
What is the InChIKey of 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid?
The InChIKey is FKJGJIZBTYGTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-18-7(9(15)16)6-13-10(17)12-5-3-2-4-8(11)14/h7H,2-6H2,1H3,(H2,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid?
3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid has a molecular weight of 261.28 g/mol, XLogP of -0.96, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid is sourced from PubChem (CID 106239007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).