2-(butylamino)-2-cyclopropylacetic acid

C9H17NO2 — CID 62696417

IUPAC2-(butylamino)-2-cyclopropylacetic acid
SMILESCCCCNC(C(=O)O)C1CC1
InChIInChI=1S/C9H17NO2/c1-2-3-6-10-8(9(11)12)7-4-5-7/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyZRTLCQVHDMHTHF-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.24
Rot. Bonds6

About 2-(butylamino)-2-cyclopropylacetic acid

2-(butylamino)-2-cyclopropylacetic acid (PubChem CID 62696417) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(butylamino)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(butylamino)-2-cyclopropylacetic acid
PubChem CID62696417
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(butylamino)-2-cyclopropylacetic acid
SMILESCCCCNC(C(=O)O)C1CC1
InChIInChI=1S/C9H17NO2/c1-2-3-6-10-8(9(11)12)7-4-5-7/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyZRTLCQVHDMHTHF-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2-(3-propoxypropylamino)acetic acid
CID 103260755
2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid
CID 62697319
2-[[2-(butylcarbamoylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62696981
2-cyclopropyl-2-(4,4,4-trifluorobutylamino)acetic acid
CID 115514640
2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid
CID 103240366
2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid
CID 114473160
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942
2-(ethylamino)-2-(thiolan-3-yl)acetic acid
CID 107132983
2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid
CID 104575539
methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate
CID 103264717
2-cyclopropyl-2-[2-(dimethylamino)propylamino]acetic acid
CID 103245185
2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid
CID 103263129

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-2-cyclopropylacetic acid?
The IUPAC name of 2-(butylamino)-2-cyclopropylacetic acid (CID 62696417) is 2-(butylamino)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(butylamino)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(butylamino)-2-cyclopropylacetic acid is CCCCNC(C(=O)O)C1CC1.
What is the InChIKey of 2-(butylamino)-2-cyclopropylacetic acid?
The InChIKey is ZRTLCQVHDMHTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-6-10-8(9(11)12)7-4-5-7/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(butylamino)-2-cyclopropylacetic acid?
2-(butylamino)-2-cyclopropylacetic acid has a molecular weight of 171.24 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-2-cyclopropylacetic acid is sourced from PubChem (CID 62696417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).