2-cyclopropyl-2-(3-propoxypropylamino)acetic acid

C11H21NO3 — CID 103260755

IUPAC2-cyclopropyl-2-(3-propoxypropylamino)acetic acid
SMILESCCCOCCCNC(C(=O)O)C1CC1
InChIInChI=1S/C11H21NO3/c1-2-7-15-8-3-6-12-10(11(13)14)9-4-5-9/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyKXFLCGXNXRHIAV-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.26
Rot. Bonds9

About 2-cyclopropyl-2-(3-propoxypropylamino)acetic acid

2-cyclopropyl-2-(3-propoxypropylamino)acetic acid (PubChem CID 103260755) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-propoxypropylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-propoxypropylamino)acetic acid
PubChem CID103260755
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-cyclopropyl-2-(3-propoxypropylamino)acetic acid
SMILESCCCOCCCNC(C(=O)O)C1CC1
InChIInChI=1S/C11H21NO3/c1-2-7-15-8-3-6-12-10(11(13)14)9-4-5-9/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyKXFLCGXNXRHIAV-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(butylamino)-2-cyclopropylacetic acid
CID 62696417
methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate
CID 103264717
2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid
CID 62697319
2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid
CID 103240366
2-cyclopropyl-2-(4,4,4-trifluorobutylamino)acetic acid
CID 115514640
2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid
CID 106248256
2-(ethylamino)-2-(thiolan-3-yl)acetic acid
CID 107132983
2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid
CID 104575539
2-[[2-(butylcarbamoylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62696981
N-(3-methoxypropyl)-2-(3-propoxypropylamino)propanamide
CID 82943912
2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943732
2-(2-butoxyethylamino)butanoic acid
CID 64667576

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-propoxypropylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(3-propoxypropylamino)acetic acid (CID 103260755) is 2-cyclopropyl-2-(3-propoxypropylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3-propoxypropylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(3-propoxypropylamino)acetic acid is CCCOCCCNC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(3-propoxypropylamino)acetic acid?
The InChIKey is KXFLCGXNXRHIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-7-15-8-3-6-12-10(11(13)14)9-4-5-9/h9-10,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-2-(3-propoxypropylamino)acetic acid?
2-cyclopropyl-2-(3-propoxypropylamino)acetic acid has a molecular weight of 215.29 g/mol, XLogP of 1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-propoxypropylamino)acetic acid is sourced from PubChem (CID 103260755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).