2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid

C9H18N2O4 — CID 61208217

IUPAC2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
SMILESCCN(CCO)C(=O)N(CC)CC(=O)O
InChIInChI=1S/C9H18N2O4/c1-3-10(5-6-12)9(15)11(4-2)7-8(13)14/h12H,3-7H2,1-2H3,(H,13,14)
InChIKeyWENZPASYLJWUFK-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.17
Rot. Bonds6

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

2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid (PubChem CID 61208217) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
PubChem CID61208217
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
SMILESCCN(CCO)C(=O)N(CC)CC(=O)O
InChIInChI=1S/C9H18N2O4/c1-3-10(5-6-12)9(15)11(4-2)7-8(13)14/h12H,3-7H2,1-2H3,(H,13,14)
InChIKeyWENZPASYLJWUFK-UHFFFAOYSA-N
XLogP-0.17
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
CID 55247073
2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 63692727
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
ethyl(2-hydroxyethyl)carbamic acid
CID 23202017
3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid
CID 61447698
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid
CID 61186126
2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 61425635
2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437536
1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea
CID 157141155
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid
CID 61425586

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid (CID 61208217) is 2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid is CCN(CCO)C(=O)N(CC)CC(=O)O.
What is the InChIKey of 2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid?
The InChIKey is WENZPASYLJWUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-3-10(5-6-12)9(15)11(4-2)7-8(13)14/h12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid?
2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid has a molecular weight of 218.25 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61208217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).