2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid

C12H22N2O4 — CID 82944448

IUPAC2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid
SMILESCCCOCCCNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O4/c1-2-7-18-8-3-6-13-12(17)14(9-11(15)16)10-4-5-10/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyQSLSIELNKKJUPD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.06
Rot. Bonds9

About 2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid

2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid (PubChem CID 82944448) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid
PubChem CID82944448
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid
SMILESCCCOCCCNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O4/c1-2-7-18-8-3-6-13-12(17)14(9-11(15)16)10-4-5-10/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyQSLSIELNKKJUPD-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid
CID 54978981
2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid
CID 106239260
2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid
CID 83113212
2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
CID 103995838
2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid
CID 82941568
2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
CID 54978624
2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid
CID 61181974
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463035
2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 54978578
2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid
CID 106340334
2-[cyclopropyl-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]amino]acetic acid
CID 54984160

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid (CID 82944448) is 2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid is CCCOCCCNC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid?
The InChIKey is QSLSIELNKKJUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-7-18-8-3-6-13-12(17)14(9-11(15)16)10-4-5-10/h10H,2-9H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid?
2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 82944448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).