2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid

C12H22N2O4 — CID 79256922

IUPAC2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)N(CCO)C1CC1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)14(8-10(16)17)11(18)13(6-7-15)9-4-5-9/h9,15H,4-8H2,1-3H3,(H,16,17)
InChIKeyMGFUQNJIXUBGFZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.75
Rot. Bonds5

About 2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid

2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid (PubChem CID 79256922) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
PubChem CID79256922
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)N(CCO)C1CC1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)14(8-10(16)17)11(18)13(6-7-15)9-4-5-9/h9,15H,4-8H2,1-3H3,(H,16,17)
InChIKeyMGFUQNJIXUBGFZ-UHFFFAOYSA-N
XLogP0.75
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid
CID 79256990
3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 61452624
2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 54984147
3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
CID 64522773
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid
CID 79256527
4-[[cyclopropyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 54995027
2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid
CID 79256991
2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid
CID 79257355
2-[tert-butyl-[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]acetic acid
CID 79257419
2-[tert-butyl(cyclopentyl)amino]acetic acid
CID 79268396
2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62821983
2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 78947635

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid (CID 79256922) is 2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)N(CCO)C1CC1.
What is the InChIKey of 2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid?
The InChIKey is MGFUQNJIXUBGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)14(8-10(16)17)11(18)13(6-7-15)9-4-5-9/h9,15H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid?
2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79256922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).