2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid

C14H26N2O3 — CID 114549103

IUPAC2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C14H26N2O3/c1-5-10(2)16(9-12(17)18)13(19)15-11-6-7-14(3,4)8-11/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyLLPNKJWMZFKJAM-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds5

About 2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid

2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid (PubChem CID 114549103) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
PubChem CID114549103
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C14H26N2O3/c1-5-10(2)16(9-12(17)18)13(19)15-11-6-7-14(3,4)8-11/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyLLPNKJWMZFKJAM-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid (CID 114549103) is 2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NC1CCC(C)(C)C1.
What is the InChIKey of 2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid?
The InChIKey is LLPNKJWMZFKJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-10(2)16(9-12(17)18)13(19)15-11-6-7-14(3,4)8-11/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid?
2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 114549103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).