(pentylamino) acetate

C7H15NO2 — CID 87721742

IUPAC(pentylamino) acetate
SMILESCCCCCNOC(C)=O
InChIInChI=1S/C7H15NO2/c1-3-4-5-6-8-10-7(2)9/h8H,3-6H2,1-2H3
InChIKeyZHFZJPHBCCMKER-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.24
Rot. Bonds5

About (pentylamino) acetate

(pentylamino) acetate (PubChem CID 87721742) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (pentylamino) acetate.

Molecular Properties

Compound Name(pentylamino) acetate
PubChem CID87721742
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(pentylamino) acetate
SMILESCCCCCNOC(C)=O
InChIInChI=1S/C7H15NO2/c1-3-4-5-6-8-10-7(2)9/h8H,3-6H2,1-2H3
InChIKeyZHFZJPHBCCMKER-UHFFFAOYSA-N
XLogP1.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

calcium;hydride;(octadecylamino) acetate
CID 174640254
(hexylamino) octanoate
CID 174754807
(nonylamino) butanoate
CID 167224180
(dodecylamino) octanoate
CID 175102615
bis(hexylamino) (Z)-but-2-enedioate
CID 174812524
bis(butylamino) propanedioate
CID 175326420
(2-oxopentadecylamino) acetate
CID 22930881
N-hydroperoxynonan-1-amine
CID 173164442
[4-[(heptylamino)methylamino]butylamino] hydrogen carbonate
CID 141268491
(2-aminoethylamino) acetate;hydrochloride
CID 174583759
butylamino 2-methylprop-2-enoate;silver
CID 175085641
(pentylamino) N-prop-2-enylcarbamate
CID 87530951

Frequently Asked Questions

What is the IUPAC name of (pentylamino) acetate?
The IUPAC name of (pentylamino) acetate (CID 87721742) is (pentylamino) acetate.
What is the SMILES notation for (pentylamino) acetate?
The canonical SMILES for (pentylamino) acetate is CCCCCNOC(C)=O.
What is the InChIKey of (pentylamino) acetate?
The InChIKey is ZHFZJPHBCCMKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-5-6-8-10-7(2)9/h8H,3-6H2,1-2H3.
What are the key properties of (pentylamino) acetate?
(pentylamino) acetate has a molecular weight of 145.20 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (pentylamino) acetate is sourced from PubChem (CID 87721742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).