pentyl 2-(propan-2-ylamino)acetate

C10H21NO2 — CID 61304310

IUPACpentyl 2-(propan-2-ylamino)acetate
SMILESCCCCCOC(=O)CNC(C)C
InChIInChI=1S/C10H21NO2/c1-4-5-6-7-13-10(12)8-11-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyIZDSAOOVGZMLMP-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds7

About pentyl 2-(propan-2-ylamino)acetate

pentyl 2-(propan-2-ylamino)acetate (PubChem CID 61304310) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is pentyl 2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Namepentyl 2-(propan-2-ylamino)acetate
PubChem CID61304310
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namepentyl 2-(propan-2-ylamino)acetate
SMILESCCCCCOC(=O)CNC(C)C
InChIInChI=1S/C10H21NO2/c1-4-5-6-7-13-10(12)8-11-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyIZDSAOOVGZMLMP-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;propyl 2-(propan-2-ylamino)acetate
CID 158517744
3-methoxypropyl 2-(propan-2-ylamino)acetate
CID 61277386
hexyl 4-(propan-2-ylamino)butanoate
CID 61301912
butyl 2-(hexan-2-ylamino)acetate
CID 62198750
octyl 2-(2-methylpropylamino)acetate
CID 63065599
butyl 2-(but-3-yn-2-ylamino)acetate
CID 114416491
butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate
CID 79248871
sodium;hydride;pentyl 2-(methylamino)acetate
CID 173079767
CID 156540534
CID 156540534
butyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]acetate
CID 60681488
nonyl 3-methylbutanoate
CID 5463914
pentyl 2-(butoxycarbonylamino)acetate
CID 6422768

Frequently Asked Questions

What is the IUPAC name of pentyl 2-(propan-2-ylamino)acetate?
The IUPAC name of pentyl 2-(propan-2-ylamino)acetate (CID 61304310) is pentyl 2-(propan-2-ylamino)acetate.
What is the SMILES notation for pentyl 2-(propan-2-ylamino)acetate?
The canonical SMILES for pentyl 2-(propan-2-ylamino)acetate is CCCCCOC(=O)CNC(C)C.
What is the InChIKey of pentyl 2-(propan-2-ylamino)acetate?
The InChIKey is IZDSAOOVGZMLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-6-7-13-10(12)8-11-9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of pentyl 2-(propan-2-ylamino)acetate?
pentyl 2-(propan-2-ylamino)acetate has a molecular weight of 187.28 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-(propan-2-ylamino)acetate is sourced from PubChem (CID 61304310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).