3-cyclopropyl-3-(ethylamino)butanoic acid

C9H17NO2 — CID 65234034

IUPAC3-cyclopropyl-3-(ethylamino)butanoic acid
SMILESCCNC(C)(CC(=O)O)C1CC1
InChIInChI=1S/C9H17NO2/c1-3-10-9(2,6-8(11)12)7-4-5-7/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyXETTZFSQPVVNLR-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.24
Rot. Bonds5

About 3-cyclopropyl-3-(ethylamino)butanoic acid

3-cyclopropyl-3-(ethylamino)butanoic acid (PubChem CID 65234034) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-cyclopropyl-3-(ethylamino)butanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(ethylamino)butanoic acid
PubChem CID65234034
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-cyclopropyl-3-(ethylamino)butanoic acid
SMILESCCNC(C)(CC(=O)O)C1CC1
InChIInChI=1S/C9H17NO2/c1-3-10-9(2,6-8(11)12)7-4-5-7/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyXETTZFSQPVVNLR-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(ethylamino)butan-1-ol
CID 65239614
ethyl 3-cyclohexyl-3-(ethylamino)butanoate
CID 65234163
tert-butyl N-[2-cyclopropyl-2-(ethylamino)propyl]carbamate
CID 103790492
3,3-dicyclopropyl-3-hydroxypropanoic acid
CID 18626409
ethyl 2-cyclopropyl-2-(ethylamino)propanoate
CID 60788384
3-(4-ethylcyclohexyl)-3-methylbutanoic acid
CID 81004196
1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one
CID 116566140
1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea
CID 115307789
2-(4-ethylcyclohexyl)-2-methylpropanoic acid
CID 79425343
ethyl 2-cyclopropyl-2-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 63921714
3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid
CID 64528337
4-(cyclobutylamino)-3,3-dimethylbutanoic acid
CID 115220244

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(ethylamino)butanoic acid?
The IUPAC name of 3-cyclopropyl-3-(ethylamino)butanoic acid (CID 65234034) is 3-cyclopropyl-3-(ethylamino)butanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(ethylamino)butanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(ethylamino)butanoic acid is CCNC(C)(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(ethylamino)butanoic acid?
The InChIKey is XETTZFSQPVVNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-10-9(2,6-8(11)12)7-4-5-7/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-cyclopropyl-3-(ethylamino)butanoic acid?
3-cyclopropyl-3-(ethylamino)butanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(ethylamino)butanoic acid is sourced from PubChem (CID 65234034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).