2-[(3-methoxycyclopentyl)carbamoyl-methylamino]butanoic acid

C12H22N2O4 — CID 114118242

IUPAC2-[(3-methoxycyclopentyl)carbamoyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NC1CCC(OC)C1
InChIInChI=1S/C12H22N2O4/c1-4-10(11(15)16)14(2)12(17)13-8-5-6-9(7-8)18-3/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyQJCQHXVRZIBZLE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.06
Rot. Bonds5

About 2-[(3-methoxycyclopentyl)carbamoyl-methylamino]butanoic acid

2-[(3-methoxycyclopentyl)carbamoyl-methylamino]butanoic acid (PubChem CID 114118242) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(3-methoxycyclopentyl)carbamoyl-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(3-methoxycyclopentyl)carbamoyl-methylamino]butanoic acid
PubChem CID114118242
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[(3-methoxycyclopentyl)carbamoyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NC1CCC(OC)C1
InChIInChI=1S/C12H22N2O4/c1-4-10(11(15)16)14(2)12(17)13-8-5-6-9(7-8)18-3/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyQJCQHXVRZIBZLE-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycyclopentyl)carbamoyl-methylamino]butanoic acid?
The IUPAC name of 2-[(3-methoxycyclopentyl)carbamoyl-methylamino]butanoic acid (CID 114118242) is 2-[(3-methoxycyclopentyl)carbamoyl-methylamino]butanoic acid.
What is the SMILES notation for 2-[(3-methoxycyclopentyl)carbamoyl-methylamino]butanoic acid?
The canonical SMILES for 2-[(3-methoxycyclopentyl)carbamoyl-methylamino]butanoic acid is CCC(C(=O)O)N(C)C(=O)NC1CCC(OC)C1.
What is the InChIKey of 2-[(3-methoxycyclopentyl)carbamoyl-methylamino]butanoic acid?
The InChIKey is QJCQHXVRZIBZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-10(11(15)16)14(2)12(17)13-8-5-6-9(7-8)18-3/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(3-methoxycyclopentyl)carbamoyl-methylamino]butanoic acid?
2-[(3-methoxycyclopentyl)carbamoyl-methylamino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclopentyl)carbamoyl-methylamino]butanoic acid is sourced from PubChem (CID 114118242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).