2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid

C12H24N2O4 — CID 79385927

IUPAC2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid
SMILESCCN(CC(C)(C)O)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C12H24N2O4/c1-6-13(8-12(4,5)18)11(17)14(9(2)3)7-10(15)16/h9,18H,6-8H2,1-5H3,(H,15,16)
InChIKeyCKNYTVCFFNNKIR-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.99
Rot. Bonds6

About 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid

2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid (PubChem CID 79385927) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid
PubChem CID79385927
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid
SMILESCCN(CC(C)(C)O)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C12H24N2O4/c1-6-13(8-12(4,5)18)11(17)14(9(2)3)7-10(15)16/h9,18H,6-8H2,1-5H3,(H,15,16)
InChIKeyCKNYTVCFFNNKIR-UHFFFAOYSA-N
XLogP0.99
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid
CID 55209009
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79386395
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 79386168
2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid
CID 63832512
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-oxopropanoic acid
CID 79385431
2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 61204584
3-[tert-butyl-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid
CID 79386010
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 79387562
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide
CID 107032116
2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 61198906
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 61198991
2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437486

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid (CID 79385927) is 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid is CCN(CC(C)(C)O)C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid?
The InChIKey is CKNYTVCFFNNKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-6-13(8-12(4,5)18)11(17)14(9(2)3)7-10(15)16/h9,18H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid?
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid has a molecular weight of 260.33 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 79385927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).