2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid

C14H26N2O3 — CID 114549087

IUPAC2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
SMILESCC1(C)CCC(NC(=O)N(CC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)16(9-11(17)18)12(19)15-10-6-7-14(4,5)8-10/h10H,6-9H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyDSXJLSXOKQKMHL-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds3

About 2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid

2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid (PubChem CID 114549087) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
PubChem CID114549087
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
SMILESCC1(C)CCC(NC(=O)N(CC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)16(9-11(17)18)12(19)15-10-6-7-14(4,5)8-10/h10H,6-9H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyDSXJLSXOKQKMHL-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid (CID 114549087) is 2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid is CC1(C)CCC(NC(=O)N(CC(=O)O)C(C)(C)C)C1.
What is the InChIKey of 2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid?
The InChIKey is DSXJLSXOKQKMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)16(9-11(17)18)12(19)15-10-6-7-14(4,5)8-10/h10H,6-9H2,1-5H3,(H,15,19)(H,17,18).
What are the key properties of 2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid?
2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 114549087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).