3-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid

C10H20N2O4 — CID 66164884

IUPAC3-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid
SMILESCCN(CC(C)C)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-12(6-7(2)3)10(16)11-5-8(13)9(14)15/h7-8,13H,4-6H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyNXTDDTPMFOYDKZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.12
Rot. Bonds6

About 3-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid

3-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid (PubChem CID 66164884) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid
PubChem CID66164884
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name3-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid
SMILESCCN(CC(C)C)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-12(6-7(2)3)10(16)11-5-8(13)9(14)15/h7-8,13H,4-6H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyNXTDDTPMFOYDKZ-UHFFFAOYSA-N
XLogP0.12
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid (CID 66164884) is 3-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid is CCN(CC(C)C)C(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid?
The InChIKey is NXTDDTPMFOYDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-12(6-7(2)3)10(16)11-5-8(13)9(14)15/h7-8,13H,4-6H2,1-3H3,(H,11,16)(H,14,15).
What are the key properties of 3-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid?
3-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66164884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).