5-amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid

C8H16F2N2O2 — CID 139456125

IUPAC5-amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid
SMILESCCNC(CCCN)(C(=O)O)C(F)F
InChIInChI=1S/C8H16F2N2O2/c1-2-12-8(6(9)10,7(13)14)4-3-5-11/h6,12H,2-5,11H2,1H3,(H,13,14)
InChIKeyOXUUSVLZCWYNSW-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.42
Rot. Bonds7

About 5-amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid

5-amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid (PubChem CID 139456125) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is 5-amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid
PubChem CID139456125
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC Name5-amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid
SMILESCCNC(CCCN)(C(=O)O)C(F)F
InChIInChI=1S/C8H16F2N2O2/c1-2-12-8(6(9)10,7(13)14)4-3-5-11/h6,12H,2-5,11H2,1H3,(H,13,14)
InChIKeyOXUUSVLZCWYNSW-UHFFFAOYSA-N
XLogP0.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid?
The IUPAC name of 5-amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid (CID 139456125) is 5-amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid.
What is the SMILES notation for 5-amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid?
The canonical SMILES for 5-amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid is CCNC(CCCN)(C(=O)O)C(F)F.
What is the InChIKey of 5-amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid?
The InChIKey is OXUUSVLZCWYNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-2-12-8(6(9)10,7(13)14)4-3-5-11/h6,12H,2-5,11H2,1H3,(H,13,14).
What are the key properties of 5-amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid?
5-amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid has a molecular weight of 210.22 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid is sourced from PubChem (CID 139456125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).