3-amino-5-ethyl-5-methylheptanoic acid

C10H21NO2 — CID 174222346

IUPAC3-amino-5-ethyl-5-methylheptanoic acid
SMILESCCC(C)(CC)CC(N)CC(=O)O
InChIInChI=1S/C10H21NO2/c1-4-10(3,5-2)7-8(11)6-9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyNACRZWKIHCXRRY-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.00
Rot. Bonds6

About 3-amino-5-ethyl-5-methylheptanoic acid

3-amino-5-ethyl-5-methylheptanoic acid (PubChem CID 174222346) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-amino-5-ethyl-5-methylheptanoic acid.

Molecular Properties

Compound Name3-amino-5-ethyl-5-methylheptanoic acid
PubChem CID174222346
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-amino-5-ethyl-5-methylheptanoic acid
SMILESCCC(C)(CC)CC(N)CC(=O)O
InChIInChI=1S/C10H21NO2/c1-4-10(3,5-2)7-8(11)6-9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyNACRZWKIHCXRRY-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4,4-dimethylhexanoic acid
CID 131229522
(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride
CID 11701275
acetic acid;3,4-diaminobutanoic acid
CID 173099381
3-amino-4,4-dimethylpentanoic acid;hydrochloride
CID 89306426
(3S)-3-amino-4-ethylhexanoic acid
CID 738112
(3R)-3-amino-4-ethylhexanoic acid
CID 738110
3-amino-4-ethylhexanoic acid
CID 2733734
3-aminononanoic acid
CID 2832746
3-amino-4,6,6-trimethylheptanoic acid
CID 83907086
3-amino-5-methylnonanoic acid;hydrochloride
CID 75078744
4-[(3-amino-5,5-dimethylhexanoyl)amino]-3-methylbutanoic acid
CID 113497097
3-ethyl-3-methylpentane-1,1-diol
CID 23586221

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethyl-5-methylheptanoic acid?
The IUPAC name of 3-amino-5-ethyl-5-methylheptanoic acid (CID 174222346) is 3-amino-5-ethyl-5-methylheptanoic acid.
What is the SMILES notation for 3-amino-5-ethyl-5-methylheptanoic acid?
The canonical SMILES for 3-amino-5-ethyl-5-methylheptanoic acid is CCC(C)(CC)CC(N)CC(=O)O.
What is the InChIKey of 3-amino-5-ethyl-5-methylheptanoic acid?
The InChIKey is NACRZWKIHCXRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-10(3,5-2)7-8(11)6-9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-5-ethyl-5-methylheptanoic acid?
3-amino-5-ethyl-5-methylheptanoic acid has a molecular weight of 187.28 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethyl-5-methylheptanoic acid is sourced from PubChem (CID 174222346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).