2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid

C13H24N2O3 — CID 79257101

IUPAC2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid
SMILESCC1CC1CN(C)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-9-6-10(9)7-14(5)12(18)15(8-11(16)17)13(2,3)4/h9-10H,6-8H2,1-5H3,(H,16,17)
InChIKeyLZMJWVIZONCCLL-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.88
Rot. Bonds4

About 2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid

2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid (PubChem CID 79257101) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid
PubChem CID79257101
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid
SMILESCC1CC1CN(C)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-9-6-10(9)7-14(5)12(18)15(8-11(16)17)13(2,3)4/h9-10H,6-8H2,1-5H3,(H,16,17)
InChIKeyLZMJWVIZONCCLL-UHFFFAOYSA-N
XLogP1.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid (CID 79257101) is 2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid is CC1CC1CN(C)C(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid?
The InChIKey is LZMJWVIZONCCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-6-10(9)7-14(5)12(18)15(8-11(16)17)13(2,3)4/h9-10H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid?
2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 79257101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).