3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid

C9H18N2O4 — CID 61208407

IUPAC3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
SMILESCCN(CCO)C(=O)NC(C)CC(=O)O
InChIInChI=1S/C9H18N2O4/c1-3-11(4-5-12)9(15)10-7(2)6-8(13)14/h7,12H,3-6H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyRWDYAXWMHQIBGQ-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.13
Rot. Bonds6

About 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid

3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid (PubChem CID 61208407) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
PubChem CID61208407
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
SMILESCCN(CCO)C(=O)NC(C)CC(=O)O
InChIInChI=1S/C9H18N2O4/c1-3-11(4-5-12)9(15)10-7(2)6-8(13)14/h7,12H,3-6H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyRWDYAXWMHQIBGQ-UHFFFAOYSA-N
XLogP-0.13
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,5-dimethylhexan-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 111435289
6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65289849
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976504
5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965425
3-(diethylcarbamoylamino)butanamide
CID 115650436
(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid
CID 104861849
N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
CID 78855760
1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 110894923
4-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 81069035
1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea
CID 110922200
3-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61438951
ethyl(2-hydroxyethyl)carbamic acid
CID 23202017

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid (CID 61208407) is 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid is CCN(CCO)C(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid?
The InChIKey is RWDYAXWMHQIBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-3-11(4-5-12)9(15)10-7(2)6-8(13)14/h7,12H,3-6H2,1-2H3,(H,10,15)(H,13,14).
What are the key properties of 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid?
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 61208407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).