(3S)-3-amino-5-ethyl-3-methylheptanoic acid

C10H21NO2 — CID 87761055

IUPAC(3S)-3-amino-5-ethyl-3-methylheptanoic acid
SMILESCCC(CC)C[C@](C)(N)CC(=O)O
InChIInChI=1S/C10H21NO2/c1-4-8(5-2)6-10(3,11)7-9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)/t10-/m0/s1
InChIKeyXUHXZCQJBQMOTA-JTQLQIEISA-N
MW187.28 g/mol
LogP2.00
Rot. Bonds6

About (3S)-3-amino-5-ethyl-3-methylheptanoic acid

(3S)-3-amino-5-ethyl-3-methylheptanoic acid (PubChem CID 87761055) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (3S)-3-amino-5-ethyl-3-methylheptanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-5-ethyl-3-methylheptanoic acid
PubChem CID87761055
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(3S)-3-amino-5-ethyl-3-methylheptanoic acid
SMILESCCC(CC)C[C@](C)(N)CC(=O)O
InChIInChI=1S/C10H21NO2/c1-4-8(5-2)6-10(3,11)7-9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)/t10-/m0/s1
InChIKeyXUHXZCQJBQMOTA-JTQLQIEISA-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

2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
CID 175042752
3-amino-3-methylheptanoic acid
CID 53262232
3-amino-4-methoxy-3-methylbutanoic acid
CID 64666411
3-amino-3,4-dimethylpentanoic acid
CID 53414110
5-hydroxy-3,3-dimethylheptanoic acid
CID 18717526
3-(1-aminoethyl)-3,4-dimethylhexanoic acid
CID 66096869
diethyl 2-(2-ethylbutyl)-2-propan-2-ylpropanedioate
CID 103972944
5-amino-3,3-dimethylhexanoic acid
CID 23009807
4-amino-3,3-bis(2-methylpropyl)hexanoic acid
CID 114868864
(5-ethyl-3-methylheptan-3-yl)urea
CID 155063510
2-(2-ethylbutyl)-2-methyldodecanedioic acid
CID 87569897
2-(1-hydroxypropyl)-2-methylbutanedioic acid
CID 174477504

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-5-ethyl-3-methylheptanoic acid?
The IUPAC name of (3S)-3-amino-5-ethyl-3-methylheptanoic acid (CID 87761055) is (3S)-3-amino-5-ethyl-3-methylheptanoic acid.
What is the SMILES notation for (3S)-3-amino-5-ethyl-3-methylheptanoic acid?
The canonical SMILES for (3S)-3-amino-5-ethyl-3-methylheptanoic acid is CCC(CC)C[C@](C)(N)CC(=O)O.
What is the InChIKey of (3S)-3-amino-5-ethyl-3-methylheptanoic acid?
The InChIKey is XUHXZCQJBQMOTA-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-8(5-2)6-10(3,11)7-9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)/t10-/m0/s1.
What are the key properties of (3S)-3-amino-5-ethyl-3-methylheptanoic acid?
(3S)-3-amino-5-ethyl-3-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 (3S)-3-amino-5-ethyl-3-methylheptanoic acid is sourced from PubChem (CID 87761055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).