2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid

C9H17NO3 — CID 62697319

IUPAC2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid
SMILESO=C(O)C(NCCCCO)C1CC1
InChIInChI=1S/C9H17NO3/c11-6-2-1-5-10-8(9(12)13)7-3-4-7/h7-8,10-11H,1-6H2,(H,12,13)
InChIKeyDBEAEYDBGDGWSU-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.21
Rot. Bonds7

About 2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid

2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid (PubChem CID 62697319) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid
PubChem CID62697319
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid
SMILESO=C(O)C(NCCCCO)C1CC1
InChIInChI=1S/C9H17NO3/c11-6-2-1-5-10-8(9(12)13)7-3-4-7/h7-8,10-11H,1-6H2,(H,12,13)
InChIKeyDBEAEYDBGDGWSU-UHFFFAOYSA-N
XLogP0.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.21
H-Bond Donors ≤ 53
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-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801
2-cyclopropyl-2-(4,4,4-trifluorobutylamino)acetic acid
CID 115514640
2-cyclopropyl-2-(3-propoxypropylamino)acetic acid
CID 103260755
2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid
CID 114473160
2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid
CID 103240366
2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid
CID 103263129
2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid
CID 82891647
2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid
CID 106248256
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697174
2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid
CID 104575539
2-(ethylamino)-2-(thiolan-3-yl)acetic acid
CID 107132983

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid (CID 62697319) is 2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid is O=C(O)C(NCCCCO)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid?
The InChIKey is DBEAEYDBGDGWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c11-6-2-1-5-10-8(9(12)13)7-3-4-7/h7-8,10-11H,1-6H2,(H,12,13).
What are the key properties of 2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid?
2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid has a molecular weight of 187.24 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid is sourced from PubChem (CID 62697319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).