5-(aminomethyl)-4,4-dimethylheptanoic acid

C10H21NO2 — CID 87933136

IUPAC5-(aminomethyl)-4,4-dimethylheptanoic acid
SMILESCCC(CN)C(C)(C)CCC(=O)O
InChIInChI=1S/C10H21NO2/c1-4-8(7-11)10(2,3)6-5-9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyVRXAMTBPVAAIED-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.86
Rot. Bonds6

About 5-(aminomethyl)-4,4-dimethylheptanoic acid

5-(aminomethyl)-4,4-dimethylheptanoic acid (PubChem CID 87933136) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 5-(aminomethyl)-4,4-dimethylheptanoic acid.

Molecular Properties

Compound Name5-(aminomethyl)-4,4-dimethylheptanoic acid
PubChem CID87933136
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name5-(aminomethyl)-4,4-dimethylheptanoic acid
SMILESCCC(CN)C(C)(C)CCC(=O)O
InChIInChI=1S/C10H21NO2/c1-4-8(7-11)10(2,3)6-5-9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyVRXAMTBPVAAIED-UHFFFAOYSA-N
XLogP1.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxycarbonyl-4,4-dimethylheptanoic acid
CID 142079394
5-hydroxy-4,4-dimethylhexanoic acid
CID 19354060
2,2-dimethylbutane-1,1,4-tricarboxylic acid
CID 86125783
4-amino-4-methylpentanoic acid
CID 158438218
5-amino-4-methyl-4-sulfanylpentanoic acid
CID 21447959
4,4-dimethylhexanoic acid
CID 12563914
5,7,7,7-tetrabromo-4,4-dimethylheptanoic acid
CID 88787051
4-(butan-2-ylamino)-4-methylpentanoic acid
CID 79695269
5,7,7,7-tetrachloro-4,4-dimethylheptanoic acid
CID 88786161
4-methyl-4-propylheptanoic acid
CID 155199633
2,3-diethyl-2-methylhexadecanedioic acid
CID 174745246
7,7-dichloro-5-hydroxy-4,4-dimethylhept-6-enoic acid
CID 23330251

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4,4-dimethylheptanoic acid?
The IUPAC name of 5-(aminomethyl)-4,4-dimethylheptanoic acid (CID 87933136) is 5-(aminomethyl)-4,4-dimethylheptanoic acid.
What is the SMILES notation for 5-(aminomethyl)-4,4-dimethylheptanoic acid?
The canonical SMILES for 5-(aminomethyl)-4,4-dimethylheptanoic acid is CCC(CN)C(C)(C)CCC(=O)O.
What is the InChIKey of 5-(aminomethyl)-4,4-dimethylheptanoic acid?
The InChIKey is VRXAMTBPVAAIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-8(7-11)10(2,3)6-5-9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 5-(aminomethyl)-4,4-dimethylheptanoic acid?
5-(aminomethyl)-4,4-dimethylheptanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4,4-dimethylheptanoic acid is sourced from PubChem (CID 87933136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).