2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid

C9H18N2O4 — CID 61425586

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

About 2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid

2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid (PubChem CID 61425586) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid
PubChem CID61425586
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid
SMILESCCCN(CCO)C(=O)N(C)CC(=O)O
InChIInChI=1S/C9H18N2O4/c1-3-4-11(5-6-12)9(15)10(2)7-8(13)14/h12H,3-7H2,1-2H3,(H,13,14)
InChIKeyWUJZGAJABKDQFQ-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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid (CID 61425586) is 2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid is CCCN(CCO)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid?
The InChIKey is WUJZGAJABKDQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-3-4-11(5-6-12)9(15)10(2)7-8(13)14/h12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid?
2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]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-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid is sourced from PubChem (CID 61425586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).