2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid

C12H20N2O4 — CID 79463174

IUPAC2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C12H20N2O4/c15-11(16)8-18-6-5-13-12(17)14(10-3-4-10)7-9-1-2-9/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeyLCGVUQBVYMSDGJ-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds8

About 2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid

2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid (PubChem CID 79463174) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid
PubChem CID79463174
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C12H20N2O4/c15-11(16)8-18-6-5-13-12(17)14(10-3-4-10)7-9-1-2-9/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeyLCGVUQBVYMSDGJ-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
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-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463035
2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid
CID 106239260
4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007560
2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid
CID 103996414
2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid
CID 79457520
4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002836
3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069382
2-[2-(1-cyclopropylethylcarbamoylamino)ethoxy]acetic acid
CID 79463822
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid
CID 163273323
2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463155
2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid
CID 82944448

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid (CID 79463174) is 2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)N(CC1CC1)C1CC1.
What is the InChIKey of 2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid?
The InChIKey is LCGVUQBVYMSDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-11(16)8-18-6-5-13-12(17)14(10-3-4-10)7-9-1-2-9/h9-10H,1-8H2,(H,13,17)(H,15,16).
What are the key properties of 2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid?
2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79463174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).