2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid

C14H28N2O4 — CID 79257428

IUPAC2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid
SMILESCOCCN(CC(C)C)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-11(2)9-15(7-8-20-6)13(19)16(10-12(17)18)14(3,4)5/h11H,7-10H2,1-6H3,(H,17,18)
InChIKeyPUKSDSMKIARJOA-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.90
Rot. Bonds7

About 2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid

2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid (PubChem CID 79257428) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid
PubChem CID79257428
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid
SMILESCOCCN(CC(C)C)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-11(2)9-15(7-8-20-6)13(19)16(10-12(17)18)14(3,4)5/h11H,7-10H2,1-6H3,(H,17,18)
InChIKeyPUKSDSMKIARJOA-UHFFFAOYSA-N
XLogP1.90
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid
CID 79257345
4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid
CID 54986328
2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 114328153
2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065274
N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride
CID 79886466
3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897540
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid
CID 79488647
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162971
2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid
CID 79256991
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263711

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid (CID 79257428) is 2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid is COCCN(CC(C)C)C(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid?
The InChIKey is PUKSDSMKIARJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-11(2)9-15(7-8-20-6)13(19)16(10-12(17)18)14(3,4)5/h11H,7-10H2,1-6H3,(H,17,18).
What are the key properties of 2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid?
2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid has a molecular weight of 288.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79257428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).