5-amino-2-propan-2-ylpentanoic acid

C8H17NO2 — CID 104681083

IUPAC5-amino-2-propan-2-ylpentanoic acid
SMILESCC(C)C(CCCN)C(=O)O
InChIInChI=1S/C8H17NO2/c1-6(2)7(8(10)11)4-3-5-9/h6-7H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyUGYWSGDLFPAVQX-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.08
Rot. Bonds5

About 5-amino-2-propan-2-ylpentanoic acid

5-amino-2-propan-2-ylpentanoic acid (PubChem CID 104681083) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-amino-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name5-amino-2-propan-2-ylpentanoic acid
PubChem CID104681083
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name5-amino-2-propan-2-ylpentanoic acid
SMILESCC(C)C(CCCN)C(=O)O
InChIInChI=1S/C8H17NO2/c1-6(2)7(8(10)11)4-3-5-9/h6-7H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyUGYWSGDLFPAVQX-UHFFFAOYSA-N
XLogP1.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-amino-2,2-dimethyl-4-propan-2-yloctan-3-one
CID 135208405
5-ethylsulfonyl-2-propan-2-ylpentanoic acid
CID 65098306
2-propan-2-ylheptadecanedioic acid;dihydrochloride
CID 89462936
ethane;2-propan-2-ylpentanoic acid
CID 175540570
(2S,3S)-2,6-diamino-3-methylhexanoic acid
CID 147560820
hexane-1,6-diamine;2-methylpropanoic acid
CID 21426939
6-(1-aminoethenylamino)-2-propan-2-ylhexanoic acid
CID 162021544
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
hydroxy(oxo)titanium;2-propan-2-yloctadecanoic acid
CID 87354134
2-[(6-aminohexanoylamino)methyl]-3-methylbutanoic acid
CID 65224486
(2S)-2,6-diamino-3-(2,2,2-trifluoroacetyl)hexanoic acid
CID 123386173

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-propan-2-ylpentanoic acid?
The IUPAC name of 5-amino-2-propan-2-ylpentanoic acid (CID 104681083) is 5-amino-2-propan-2-ylpentanoic acid.
What is the SMILES notation for 5-amino-2-propan-2-ylpentanoic acid?
The canonical SMILES for 5-amino-2-propan-2-ylpentanoic acid is CC(C)C(CCCN)C(=O)O.
What is the InChIKey of 5-amino-2-propan-2-ylpentanoic acid?
The InChIKey is UGYWSGDLFPAVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)7(8(10)11)4-3-5-9/h6-7H,3-5,9H2,1-2H3,(H,10,11).
What are the key properties of 5-amino-2-propan-2-ylpentanoic acid?
5-amino-2-propan-2-ylpentanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propan-2-ylpentanoic acid is sourced from PubChem (CID 104681083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).