2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid

C10H17NO2 — CID 114473160

IUPAC2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid
SMILESC=C(C)CCNC(C(=O)O)C1CC1
InChIInChI=1S/C10H17NO2/c1-7(2)5-6-11-9(10(12)13)8-3-4-8/h8-9,11H,1,3-6H2,2H3,(H,12,13)
InChIKeyZQPZUZKWCQACED-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.41
Rot. Bonds6

About 2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid

2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid (PubChem CID 114473160) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid
PubChem CID114473160
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid
SMILESC=C(C)CCNC(C(=O)O)C1CC1
InChIInChI=1S/C10H17NO2/c1-7(2)5-6-11-9(10(12)13)8-3-4-8/h8-9,11H,1,3-6H2,2H3,(H,12,13)
InChIKeyZQPZUZKWCQACED-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid
CID 103240366
N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine
CID 114449137
2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid
CID 103263129
2-(butylamino)-2-cyclopropylacetic acid
CID 62696417
2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid
CID 62697319
2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid
CID 62695608
2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid
CID 62696024
2-cyclopropyl-2-(3-propoxypropylamino)acetic acid
CID 103260755
2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62696946
2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid
CID 82891647
(2R)-2-(3-methylbut-3-enylamino)-3-sulfanylpropanoic acid
CID 141061512
2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid
CID 103254407

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid (CID 114473160) is 2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid is C=C(C)CCNC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid?
The InChIKey is ZQPZUZKWCQACED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)5-6-11-9(10(12)13)8-3-4-8/h8-9,11H,1,3-6H2,2H3,(H,12,13).
What are the key properties of 2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid?
2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid has a molecular weight of 183.25 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid is sourced from PubChem (CID 114473160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).