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

C10H18N2O4 — CID 79463035

IUPAC2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid
SMILESCCN(C(=O)NCCOCC(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c1-2-12(8-3-4-8)10(15)11-5-6-16-7-9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyMTRSJGCORSYVQW-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.28
Rot. Bonds7

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

2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid (PubChem CID 79463035) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid
PubChem CID79463035
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid
SMILESCCN(C(=O)NCCOCC(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c1-2-12(8-3-4-8)10(15)11-5-6-16-7-9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyMTRSJGCORSYVQW-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.28
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(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463174
2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid
CID 106239260
4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838309
2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid
CID 79463634
2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid
CID 82944448
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464032
2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463536
2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463361
2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463155
2-[2-[cyclopropyl(methyl)amino]ethoxy]acetic acid
CID 143874023
2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463562

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid (CID 79463035) is 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid is CCN(C(=O)NCCOCC(=O)O)C1CC1.
What is the InChIKey of 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid?
The InChIKey is MTRSJGCORSYVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-12(8-3-4-8)10(15)11-5-6-16-7-9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid?
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid has a molecular weight of 230.26 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79463035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).