2-(cyclopropylamino)-2-ethylbutanoic acid

C9H17NO2 — CID 43754498

IUPAC2-(cyclopropylamino)-2-ethylbutanoic acid
SMILESCCC(CC)(NC1CC1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-9(4-2,8(11)12)10-7-5-6-7/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyMFEMSTLYMFCDBX-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.38
Rot. Bonds5

About 2-(cyclopropylamino)-2-ethylbutanoic acid

2-(cyclopropylamino)-2-ethylbutanoic acid (PubChem CID 43754498) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-ethylbutanoic acid
PubChem CID43754498
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(cyclopropylamino)-2-ethylbutanoic acid
SMILESCCC(CC)(NC1CC1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-9(4-2,8(11)12)10-7-5-6-7/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyMFEMSTLYMFCDBX-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-2-ethyl-5-(2-hydroxyethylsulfanyl)pentanoic acid
CID 106807263
5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid
CID 106807115
2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid
CID 79803865
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 78969390
2-(piperidin-4-ylamino)-2-propylpentanoic acid
CID 114991762
2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid
CID 79810260
2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid
CID 106805763
2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid
CID 106806182
2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid
CID 106806318
2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69495970
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid
CID 79804588
2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid
CID 106806245

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-ethylbutanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-ethylbutanoic acid (CID 43754498) is 2-(cyclopropylamino)-2-ethylbutanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-ethylbutanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-ethylbutanoic acid is CCC(CC)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-2-ethylbutanoic acid?
The InChIKey is MFEMSTLYMFCDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-9(4-2,8(11)12)10-7-5-6-7/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(cyclopropylamino)-2-ethylbutanoic acid?
2-(cyclopropylamino)-2-ethylbutanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-ethylbutanoic acid is sourced from PubChem (CID 43754498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).