2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid

C15H28N2O3 — CID 79350936

IUPAC2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C15H28N2O3/c1-13(2,3)17(9-11(18)19)12(20)16-8-10-14(4,5)15(10,6)7/h10H,8-9H2,1-7H3,(H,16,20)(H,18,19)
InChIKeyRBYGWICNUKAAMD-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.56
Rot. Bonds4

About 2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid

2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid (PubChem CID 79350936) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid
PubChem CID79350936
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C15H28N2O3/c1-13(2,3)17(9-11(18)19)12(20)16-8-10-14(4,5)15(10,6)7/h10H,8-9H2,1-7H3,(H,16,20)(H,18,19)
InChIKeyRBYGWICNUKAAMD-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid (CID 79350936) is 2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)NCC1C(C)(C)C1(C)C.
What is the InChIKey of 2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid?
The InChIKey is RBYGWICNUKAAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-13(2,3)17(9-11(18)19)12(20)16-8-10-14(4,5)15(10,6)7/h10H,8-9H2,1-7H3,(H,16,20)(H,18,19).
What are the key properties of 2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid?
2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 79350936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).