5-amino-2-ethylidene-3,3-dimethylpentanoic acid

C9H17NO2 — CID 87266933

IUPAC5-amino-2-ethylidene-3,3-dimethylpentanoic acid
SMILESCC=C(C(=O)O)C(C)(C)CCN
InChIInChI=1S/C9H17NO2/c1-4-7(8(11)12)9(2,3)5-6-10/h4H,5-6,10H2,1-3H3,(H,11,12)
InChIKeyYCLFSFMVOZDYMN-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.39
Rot. Bonds4

About 5-amino-2-ethylidene-3,3-dimethylpentanoic acid

5-amino-2-ethylidene-3,3-dimethylpentanoic acid (PubChem CID 87266933) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-amino-2-ethylidene-3,3-dimethylpentanoic acid.

Molecular Properties

Compound Name5-amino-2-ethylidene-3,3-dimethylpentanoic acid
PubChem CID87266933
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-amino-2-ethylidene-3,3-dimethylpentanoic acid
SMILESCC=C(C(=O)O)C(C)(C)CCN
InChIInChI=1S/C9H17NO2/c1-4-7(8(11)12)9(2,3)5-6-10/h4H,5-6,10H2,1-3H3,(H,11,12)
InChIKeyYCLFSFMVOZDYMN-UHFFFAOYSA-N
XLogP1.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-2,2-dimethylbutanamide
CID 23366310
5-amino-3,3-dimethyl-2-methylidenepentanoic acid;chloromethane
CID 87121866
2-tert-butylbut-2-enoic acid
CID 54472198
(4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride
CID 118419337
CID 160895097
CID 160895097
4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one
CID 116991077
calcium 2,2,6,6-tetramethylheptane-3,5-dione
CID 21192278
CID 161328323
CID 161328323
oxalic acid;bis(propan-1-amine)
CID 173398819
1,5-diamino-3-methylpentan-3-ol
CID 55289745
4-amino-2,2-dimethylbutanal
CID 54099515
4-amino-2,2-dimethyl-1-(2,3,5,6-tetramethylphenyl)butan-1-one
CID 116916331

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethylidene-3,3-dimethylpentanoic acid?
The IUPAC name of 5-amino-2-ethylidene-3,3-dimethylpentanoic acid (CID 87266933) is 5-amino-2-ethylidene-3,3-dimethylpentanoic acid.
What is the SMILES notation for 5-amino-2-ethylidene-3,3-dimethylpentanoic acid?
The canonical SMILES for 5-amino-2-ethylidene-3,3-dimethylpentanoic acid is CC=C(C(=O)O)C(C)(C)CCN.
What is the InChIKey of 5-amino-2-ethylidene-3,3-dimethylpentanoic acid?
The InChIKey is YCLFSFMVOZDYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7(8(11)12)9(2,3)5-6-10/h4H,5-6,10H2,1-3H3,(H,11,12).
What are the key properties of 5-amino-2-ethylidene-3,3-dimethylpentanoic acid?
5-amino-2-ethylidene-3,3-dimethylpentanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethylidene-3,3-dimethylpentanoic acid is sourced from PubChem (CID 87266933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).