5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid

C10H19N3O5 — CID 114162551

IUPAC5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid
SMILESNC(=O)COCCNC(=O)NCCCCC(=O)O
InChIInChI=1S/C10H19N3O5/c11-8(14)7-18-6-5-13-10(17)12-4-2-1-3-9(15)16/h1-7H2,(H2,11,14)(H,15,16)(H2,12,13,17)
InChIKeyVENWDKBBSWFBSH-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.96
Rot. Bonds10

About 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid

5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid (PubChem CID 114162551) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid
PubChem CID114162551
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid
SMILESNC(=O)COCCNC(=O)NCCCCC(=O)O
InChIInChI=1S/C10H19N3O5/c11-8(14)7-18-6-5-13-10(17)12-4-2-1-3-9(15)16/h1-7H2,(H2,11,14)(H,15,16)(H2,12,13,17)
InChIKeyVENWDKBBSWFBSH-UHFFFAOYSA-N
XLogP-0.96
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
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-[2-(pentylcarbamoylamino)ethoxy]acetic acid
CID 79463025
4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid
CID 61202832
2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide
CID 103816384
5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid
CID 79479657
7-(butylcarbamoylamino)heptanoic acid
CID 28786256
6-(3-methoxypropylcarbamoylamino)hexanoic acid
CID 61196708
2-[2-[2-(2-amino-2-oxoethoxy)ethylamino]-2-oxoethoxy]acetic acid
CID 106234757
6-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]hexanamide
CID 106236522
4-[2-(trifluoromethoxy)ethylcarbamoylamino]butanoic acid
CID 122011442
5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid
CID 141090456
4-(pentylcarbamoylamino)butanoic acid
CID 28511535
formaldehyde;methanol;18-[[4-[4-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylcarbamoylamino]butylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 177199297

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid (CID 114162551) is 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid is NC(=O)COCCNC(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid?
The InChIKey is VENWDKBBSWFBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c11-8(14)7-18-6-5-13-10(17)12-4-2-1-3-9(15)16/h1-7H2,(H2,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid?
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid has a molecular weight of 261.28 g/mol, XLogP of -0.96, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 114162551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).