2-(2,2-difluoropentan-3-ylamino)-4-methylpentanoic acid

C11H21F2NO2 — CID 143876306

IUPAC2-(2,2-difluoropentan-3-ylamino)-4-methylpentanoic acid
SMILESCCC(NC(CC(C)C)C(=O)O)C(C)(F)F
InChIInChI=1S/C11H21F2NO2/c1-5-9(11(4,12)13)14-8(10(15)16)6-7(2)3/h7-9,14H,5-6H2,1-4H3,(H,15,16)
InChIKeyLNBFIRNSOAFKRX-UHFFFAOYSA-N
MW237.29 g/mol
LogP2.51
Rot. Bonds7

About 2-(2,2-difluoropentan-3-ylamino)-4-methylpentanoic acid

2-(2,2-difluoropentan-3-ylamino)-4-methylpentanoic acid (PubChem CID 143876306) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-(2,2-difluoropentan-3-ylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(2,2-difluoropentan-3-ylamino)-4-methylpentanoic acid
PubChem CID143876306
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name2-(2,2-difluoropentan-3-ylamino)-4-methylpentanoic acid
SMILESCCC(NC(CC(C)C)C(=O)O)C(C)(F)F
InChIInChI=1S/C11H21F2NO2/c1-5-9(11(4,12)13)14-8(10(15)16)6-7(2)3/h7-9,14H,5-6H2,1-4H3,(H,15,16)
InChIKeyLNBFIRNSOAFKRX-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetyl-L-leucine
CID 70912
N-Acetyl-D-leucine
CID 1241420
acetyl-DL-leucine
CID 1995
N-Methylleucine, D-
CID 6951123
N-Methylleucine
CID 2777993
N-Methyl-dl-leucine
CID 567743
L-Leucine, N-(2-cyanoethyl)-
CID 239178
n-(Trifluoroacetyl)leucine
CID 287221
l-Isoleucine, N-trifluoroacetyl-
CID 328217
(2S)-2-(2,2-Dimethylpropanamido)-4-methylpentanoic acid
CID 6426753
(S)-4-Methyl-2-(methylamino)pentanoic acid hydrochloride
CID 2777992
(2S)-4-methyl-2-(trifluoroacetamido)pentanoic acid
CID 14251809

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropentan-3-ylamino)-4-methylpentanoic acid?
The IUPAC name of 2-(2,2-difluoropentan-3-ylamino)-4-methylpentanoic acid (CID 143876306) is 2-(2,2-difluoropentan-3-ylamino)-4-methylpentanoic acid.
What is the SMILES notation for 2-(2,2-difluoropentan-3-ylamino)-4-methylpentanoic acid?
The canonical SMILES for 2-(2,2-difluoropentan-3-ylamino)-4-methylpentanoic acid is CCC(NC(CC(C)C)C(=O)O)C(C)(F)F.
What is the InChIKey of 2-(2,2-difluoropentan-3-ylamino)-4-methylpentanoic acid?
The InChIKey is LNBFIRNSOAFKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-5-9(11(4,12)13)14-8(10(15)16)6-7(2)3/h7-9,14H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2-(2,2-difluoropentan-3-ylamino)-4-methylpentanoic acid?
2-(2,2-difluoropentan-3-ylamino)-4-methylpentanoic acid has a molecular weight of 237.29 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropentan-3-ylamino)-4-methylpentanoic acid is sourced from PubChem (CID 143876306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).